5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione

C88H129N11O12S2 — CID 159287570

IUPAC5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione
SMILESCC(C)OCCCN1C(=O)c2ccccc2C1=O.CC(C)OCCn1cccc1.CC(C)OCCn1cccc1.CC(C)OCCn1cccn1.CC(C)OCc1ccc2ccccc2n1.CC(C)OCc1cscn1.CC(C)OCc1nc2ccccc2[nH]1.Cc1cc(CCOC(C)C)no1.Cc1nc(COC(C)C)cs1
InChIInChI=1S/C14H17NO3.C13H15NO.C11H14N2O.C9H15NO2.2C9H15NO.C8H14N2O.C8H13NOS.C7H11NOS/c1-10(2)18-9-5-8-15-13(16)11-6-3-4-7-12(11)14(15)17;1-10(2)15-9-12-8-7-11-5-3-4-6-13(11)14-12;1-8(2)14-7-11-12-9-5-3-4-6-10(9)13-11;1-7(2)11-5-4-9-6-8(3)12-10-9;2*1-9(2)11-8-7-10-5-3-4-6-10;1-8(2)11-7-6-10-5-3-4-9-10;1-6(2)10-4-8-5-11-7(3)9-8;1-6(2)9-3-7-4-10-5-8-7/h3-4,6-7,10H,5,8-9H2,1-2H3;3-8,10H,9H2,1-2H3;3-6,8H,7H2,1-2H3,(H,12,13);6-7H,4-5H2,1-3H3;2*3-6,9H,7-8H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-6H,4H2,1-3H3;4-6H,3H2,1-2H3
InChIKeyKZRYRXJEVFBASL-UHFFFAOYSA-N
MW1597.20 g/mol
LogP19.27
Rot. Bonds33

About 5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione

5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione (PubChem CID 159287570) has the molecular formula C88H129N11O12S2 and a molecular weight of 1597.20 g/mol. Its IUPAC name is 5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione
PubChem CID159287570
Molecular FormulaC88H129N11O12S2
Molecular Weight1597.20 g/mol
Exact Mass1595.93
IUPAC Name5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione
SMILESCC(C)OCCCN1C(=O)c2ccccc2C1=O.CC(C)OCCn1cccc1.CC(C)OCCn1cccc1.CC(C)OCCn1cccn1.CC(C)OCc1ccc2ccccc2n1.CC(C)OCc1cscn1.CC(C)OCc1nc2ccccc2[nH]1.Cc1cc(CCOC(C)C)no1.Cc1nc(COC(C)C)cs1
InChIInChI=1S/C14H17NO3.C13H15NO.C11H14N2O.C9H15NO2.2C9H15NO.C8H14N2O.C8H13NOS.C7H11NOS/c1-10(2)18-9-5-8-15-13(16)11-6-3-4-7-12(11)14(15)17;1-10(2)15-9-12-8-7-11-5-3-4-6-13(11)14-12;1-8(2)14-7-11-12-9-5-3-4-6-10(9)13-11;1-7(2)11-5-4-9-6-8(3)12-10-9;2*1-9(2)11-8-7-10-5-3-4-6-10;1-8(2)11-7-6-10-5-3-4-9-10;1-6(2)10-4-8-5-11-7(3)9-8;1-6(2)9-3-7-4-10-5-8-7/h3-4,6-7,10H,5,8-9H2,1-2H3;3-8,10H,9H2,1-2H3;3-6,8H,7H2,1-2H3,(H,12,13);6-7H,4-5H2,1-3H3;2*3-6,9H,7-8H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-6H,4H2,1-3H3;4-6H,3H2,1-2H3
InChIKeyKZRYRXJEVFBASL-UHFFFAOYSA-N
XLogP19.27
TPSA241.51 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001597.20
LogP ≤ 519.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione with MolForge

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Related Compounds

5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-5-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine
CID 140984210

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione?
The IUPAC name of 5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione (CID 159287570) is 5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione.
What is the SMILES notation for 5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione?
The canonical SMILES for 5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione is CC(C)OCCCN1C(=O)c2ccccc2C1=O.CC(C)OCCn1cccc1.CC(C)OCCn1cccc1.CC(C)OCCn1cccn1.CC(C)OCc1ccc2ccccc2n1.CC(C)OCc1cscn1.CC(C)OCc1nc2ccccc2[nH]1.Cc1cc(CCOC(C)C)no1.Cc1nc(COC(C)C)cs1.
What is the InChIKey of 5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione?
The InChIKey is KZRYRXJEVFBASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3.C13H15NO.C11H14N2O.C9H15NO2.2C9H15NO.C8H14N2O.C8H13NOS.C7H11NOS/c1-10(2)18-9-5-8-15-13(16)11-6-3-4-7-12(11)14(15)17;1-10(2)15-9-12-8-7-11-5-3-4-6-13(11)14-12;1-8(2)14-7-11-12-9-5-3-4-6-10(9)13-11;1-7(2)11-5-4-9-6-8(3)12-10-9;2*1-9(2)11-8-7-10-5-3-4-6-10;1-8(2)11-7-6-10-5-3-4-9-10;1-6(2)10-4-8-5-11-7(3)9-8;1-6(2)9-3-7-4-10-5-8-7/h3-4,6-7,10H,5,8-9H2,1-2H3;3-8,10H,9H2,1-2H3;3-6,8H,7H2,1-2H3,(H,12,13);6-7H,4-5H2,1-3H3;2*3-6,9H,7-8H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-6H,4H2,1-3H3;4-6H,3H2,1-2H3.
What are the key properties of 5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione?
5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione has a molecular weight of 1597.20 g/mol, XLogP of 19.27, 33 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione is sourced from PubChem (CID 159287570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).