3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole

C123H196N26O3S13 — CID 161240860

IUPAC3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole
SMILESCC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1ccns1.CC(C)c1cnn(C)c1.CC(C)c1cnns1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nccs1.CC(C)c1nncs1.Cc1cc(C(C)C)sn1.Cc1cnc(C(C)C)s1.Cc1cnsc1C(C)C.Cc1csc(C(C)C)n1.Cc1nnc(C(C)C)s1.Cc1nnsc1C(C)C.Cc1nocc1C(C)C.Cc1nscc1C(C)C.Cc1oncc1C(C)C.Cc1sncc1C(C)C
InChIInChI=1S/3C7H12N2.2C7H11NO.6C7H11NS.2C6H10N2S.C6H9NO.3C6H9NS.2C5H8N2S/c1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-9-8-6(7)3;1-5(2)7-4-8-9-6(7)3;1-5(2)7-4-9-8-6(7)3;1-5(2)7-4-8-9-6(7)3;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-6(3)4-8-9-7;1-5(2)7-4-6(3)8-9-7;1-4(2)6-8-7-5(3)9-6;1-4(2)6-5(3)7-8-9-6;2*1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-4(2)5-7-6-3-8-5;1-4(2)5-3-6-7-8-5/h3*4-6H,1-3H3;8*4-5H,1-3H3;2*4H,1-3H3;4*3-5H,1-2H3;2*3-4H,1-2H3
InChIKeyUZZDEGGSTOTWCK-UHFFFAOYSA-N
MW2503.97 g/mol
LogP40.15
Rot. Bonds19

About 3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole

3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole (PubChem CID 161240860) has the molecular formula C123H196N26O3S13 and a molecular weight of 2503.97 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole.

Molecular Properties

Compound Name3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole
PubChem CID161240860
Molecular FormulaC123H196N26O3S13
Molecular Weight2503.97 g/mol
Exact Mass2501.24
IUPAC Name3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole
SMILESCC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1ccns1.CC(C)c1cnn(C)c1.CC(C)c1cnns1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nccs1.CC(C)c1nncs1.Cc1cc(C(C)C)sn1.Cc1cnc(C(C)C)s1.Cc1cnsc1C(C)C.Cc1csc(C(C)C)n1.Cc1nnc(C(C)C)s1.Cc1nnsc1C(C)C.Cc1nocc1C(C)C.Cc1nscc1C(C)C.Cc1oncc1C(C)C.Cc1sncc1C(C)C
InChIInChI=1S/3C7H12N2.2C7H11NO.6C7H11NS.2C6H10N2S.C6H9NO.3C6H9NS.2C5H8N2S/c1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-9-8-6(7)3;1-5(2)7-4-8-9-6(7)3;1-5(2)7-4-9-8-6(7)3;1-5(2)7-4-8-9-6(7)3;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-6(3)4-8-9-7;1-5(2)7-4-6(3)8-9-7;1-4(2)6-8-7-5(3)9-6;1-4(2)6-5(3)7-8-9-6;2*1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-4(2)5-7-6-3-8-5;1-4(2)5-3-6-7-8-5/h3*4-6H,1-3H3;8*4-5H,1-3H3;2*4H,1-3H3;4*3-5H,1-2H3;2*3-4H,1-2H3
InChIKeyUZZDEGGSTOTWCK-UHFFFAOYSA-N
XLogP40.15
TPSA350.68 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds19
Heavy Atoms165
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002503.97
LogP ≤ 540.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole?
The IUPAC name of 3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole (CID 161240860) is 3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole.
What is the SMILES notation for 3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole?
The canonical SMILES for 3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole is CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1ccns1.CC(C)c1cnn(C)c1.CC(C)c1cnns1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nccs1.CC(C)c1nncs1.Cc1cc(C(C)C)sn1.Cc1cnc(C(C)C)s1.Cc1cnsc1C(C)C.Cc1csc(C(C)C)n1.Cc1nnc(C(C)C)s1.Cc1nnsc1C(C)C.Cc1nocc1C(C)C.Cc1nscc1C(C)C.Cc1oncc1C(C)C.Cc1sncc1C(C)C.
What is the InChIKey of 3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole?
The InChIKey is UZZDEGGSTOTWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H12N2.2C7H11NO.6C7H11NS.2C6H10N2S.C6H9NO.3C6H9NS.2C5H8N2S/c1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-9-8-6(7)3;1-5(2)7-4-8-9-6(7)3;1-5(2)7-4-9-8-6(7)3;1-5(2)7-4-8-9-6(7)3;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-6(3)4-8-9-7;1-5(2)7-4-6(3)8-9-7;1-4(2)6-8-7-5(3)9-6;1-4(2)6-5(3)7-8-9-6;2*1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-4(2)5-7-6-3-8-5;1-4(2)5-3-6-7-8-5/h3*4-6H,1-3H3;8*4-5H,1-3H3;2*4H,1-3H3;4*3-5H,1-2H3;2*3-4H,1-2H3.
What are the key properties of 3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole?
3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole has a molecular weight of 2503.97 g/mol, XLogP of 40.15, 19 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-5-propan-2-ylthiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole is sourced from PubChem (CID 161240860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).