3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H23N3O2 — CID 78835772

IUPAC3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)Nc3ccccc3C(C)C)c12
InChIInChI=1S/C20H23N3O2/c1-11(2)14-8-6-7-9-16(14)21-19(24)15-10-17(12(3)4)22-20-18(15)13(5)23-25-20/h6-12H,1-5H3,(H,21,24)
InChIKeyRXODLWVNDQAJRV-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.03
Rot. Bonds4

About 3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78835772) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78835772
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)Nc3ccccc3C(C)C)c12
InChIInChI=1S/C20H23N3O2/c1-11(2)14-8-6-7-9-16(14)21-19(24)15-10-17(12(3)4)22-20-18(15)13(5)23-25-20/h6-12H,1-5H3,(H,21,24)
InChIKeyRXODLWVNDQAJRV-UHFFFAOYSA-N
XLogP5.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]acetic acid
CID 119353215
3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78868309
N-(5-chloro-2-methylphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112807982
N-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78891603
3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112833632
N'-(2-hydroxybenzoyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 78831253
N-(3-acetylphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45491955
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112808074
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830266
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78840051
N-(2-amino-5-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119420959
N-(5-chloro-2-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45495715

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78835772) is 3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccccc3C(C)C)c12.
What is the InChIKey of 3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RXODLWVNDQAJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-11(2)14-8-6-7-9-16(14)21-19(24)15-10-17(12(3)4)22-20-18(15)13(5)23-25-20/h6-12H,1-5H3,(H,21,24).
What are the key properties of 3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78835772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).