N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide

C20H15N3O2 — CID 24538064

IUPACN-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCc1ccnc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1
InChIInChI=1S/C20H15N3O2/c1-13-9-10-21-18(11-13)22-20(24)15-7-8-17-16(12-15)19(25-23-17)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22,24)
InChIKeyZVSIHISJFARHSC-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.45
Rot. Bonds3

About N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide

N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 24538064) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID24538064
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC NameN-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCc1ccnc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1
InChIInChI=1S/C20H15N3O2/c1-13-9-10-21-18(11-13)22-20(24)15-7-8-17-16(12-15)19(25-23-17)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22,24)
InChIKeyZVSIHISJFARHSC-UHFFFAOYSA-N
XLogP4.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465233
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122298037
4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203
N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 71895533
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122302822
3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide
CID 9033671
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 60517332
N-(4-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 19581183
3-phenyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-2,1-benzoxazole-5-carboxamide
CID 60555246
3-phenyl-N-prop-2-ynyl-2,1-benzoxazole-5-carboxamide
CID 18110112
N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9193125

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 24538064) is N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide is Cc1ccnc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is ZVSIHISJFARHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13-9-10-21-18(11-13)22-20(24)15-7-8-17-16(12-15)19(25-23-17)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22,24).
What are the key properties of N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 24538064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).