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

C24H22N4O3 — CID 78891603

IUPACN-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)c12
InChIInChI=1S/C24H22N4O3/c1-14(2)20-13-19(21-15(3)28-31-24(21)27-20)23(30)26-18-11-7-10-17(12-18)25-22(29)16-8-5-4-6-9-16/h4-14H,1-3H3,(H,25,29)(H,26,30)
InChIKeyVPFNMNWJZWPIIV-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.16
Rot. Bonds5

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

N-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78891603) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78891603
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)c12
InChIInChI=1S/C24H22N4O3/c1-14(2)20-13-19(21-15(3)28-31-24(21)27-20)23(30)26-18-11-7-10-17(12-18)25-22(29)16-8-5-4-6-9-16/h4-14H,1-3H3,(H,25,29)(H,26,30)
InChIKeyVPFNMNWJZWPIIV-UHFFFAOYSA-N
XLogP5.16
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45491955
3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112833632
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830266
3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78835772
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78840051
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-6-propan-2-yl-N-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78882543
3-methyl-N-(4-methylsulfanylphenyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830370
3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78849286
N'-(2-hydroxybenzoyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 78831253
3-methyl-6-propan-2-yl-N-(3-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78861772
N-(1H-indol-6-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45493215

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78891603) is N-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C(C)C)cc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)c12.
What is the InChIKey of N-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VPFNMNWJZWPIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-14(2)20-13-19(21-15(3)28-31-24(21)27-20)23(30)26-18-11-7-10-17(12-18)25-22(29)16-8-5-4-6-9-16/h4-14H,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78891603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).