[6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone

C20H21N3O2 — CID 171315436

IUPAC[6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2noc3nc(C)cc(C(=O)N4CCCCC4)c23)cc1
InChIInChI=1S/C20H21N3O2/c1-13-6-8-15(9-7-13)18-17-16(12-14(2)21-19(17)25-22-18)20(24)23-10-4-3-5-11-23/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyKGZRXFVZXVKQJI-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.13
Rot. Bonds2

About [6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone

[6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone (PubChem CID 171315436) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is [6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
PubChem CID171315436
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name[6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2noc3nc(C)cc(C(=O)N4CCCCC4)c23)cc1
InChIInChI=1S/C20H21N3O2/c1-13-6-8-15(9-7-13)18-17-16(12-14(2)21-19(17)25-22-18)20(24)23-10-4-3-5-11-23/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyKGZRXFVZXVKQJI-UHFFFAOYSA-N
XLogP4.13
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-cyclopropyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 171315535
(4-ethylsulfonylpiperazin-1-yl)-(6-methyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 19617120
[3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 171315340
azepan-1-yl-[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 171315394
[4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-phenylmethanone
CID 18133209
[4-[3-(1,3-benzodioxol-5-yl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 19616073
6-methyl-3-(4-methylphenyl)-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315644
[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 44824314
[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 157014503
1,4-diazepan-1-yl-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
CID 119414802
1-[4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 18160027
[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 126785494

Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone (CID 171315436) is [6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone is Cc1ccc(-c2noc3nc(C)cc(C(=O)N4CCCCC4)c23)cc1.
What is the InChIKey of [6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is KGZRXFVZXVKQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-6-8-15(9-7-13)18-17-16(12-14(2)21-19(17)25-22-18)20(24)23-10-4-3-5-11-23/h6-9,12H,3-5,10-11H2,1-2H3.
What are the key properties of [6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone?
[6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 335.41 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 171315436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).