3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole

C70H101F6N15O4S6 — CID 165039287

IUPAC3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1cnsc1.CC(C)c1nc(C#N)cs1.CC(C)c1nc(C(F)(F)F)co1.CC(C)c1nc(C(F)(F)F)cs1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnnn1C.Cc1cc(C(C)C)on1.Cc1nc(C(C)C)cs1
InChIInChI=1S/C7H8F3NO.C7H8F3NS.C7H8N2S.C7H11NO.C7H11NS.2C6H9NO.3C6H9NS.C5H10N4/c2*1-4(2)6-11-5(3-12-6)7(8,9)10;1-5(2)7-9-6(3-8)4-10-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;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)5-6-7-8-9(5)3/h2*3-4H,1-2H3;4-5H,1-2H3;2*4-5H,1-3H3;5*3-5H,1-2H3;4H,1-3H3
InChIKeyNWFOUDNXUBOMMV-UHFFFAOYSA-N
MW1523.07 g/mol
LogP23.65
Rot. Bonds11

About 3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole

3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 165039287) has the molecular formula C70H101F6N15O4S6 and a molecular weight of 1523.07 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID165039287
Molecular FormulaC70H101F6N15O4S6
Molecular Weight1523.07 g/mol
Exact Mass1521.64
IUPAC Name3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1cnsc1.CC(C)c1nc(C#N)cs1.CC(C)c1nc(C(F)(F)F)co1.CC(C)c1nc(C(F)(F)F)cs1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnnn1C.Cc1cc(C(C)C)on1.Cc1nc(C(C)C)cs1
InChIInChI=1S/C7H8F3NO.C7H8F3NS.C7H8N2S.C7H11NO.C7H11NS.2C6H9NO.3C6H9NS.C5H10N4/c2*1-4(2)6-11-5(3-12-6)7(8,9)10;1-5(2)7-9-6(3-8)4-10-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;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)5-6-7-8-9(5)3/h2*3-4H,1-2H3;4-5H,1-2H3;2*4-5H,1-3H3;5*3-5H,1-2H3;4H,1-3H3
InChIKeyNWFOUDNXUBOMMV-UHFFFAOYSA-N
XLogP23.65
TPSA248.85 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds11
Heavy Atoms101
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001523.07
LogP ≤ 523.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole (CID 165039287) is 3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole is CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1cnsc1.CC(C)c1nc(C#N)cs1.CC(C)c1nc(C(F)(F)F)co1.CC(C)c1nc(C(F)(F)F)cs1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnnn1C.Cc1cc(C(C)C)on1.Cc1nc(C(C)C)cs1.
What is the InChIKey of 3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is NWFOUDNXUBOMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO.C7H8F3NS.C7H8N2S.C7H11NO.C7H11NS.2C6H9NO.3C6H9NS.C5H10N4/c2*1-4(2)6-11-5(3-12-6)7(8,9)10;1-5(2)7-9-6(3-8)4-10-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;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)5-6-7-8-9(5)3/h2*3-4H,1-2H3;4-5H,1-2H3;2*4-5H,1-3H3;5*3-5H,1-2H3;4H,1-3H3.
What are the key properties of 3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?
3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 1523.07 g/mol, XLogP of 23.65, 11 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 165039287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).