N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide

C20H15N3O2 — CID 1114156

IUPACN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)oc2c1
InChIInChI=1S/C20H15N3O2/c1-13-4-9-17-18(11-13)25-20(23-17)14-5-7-16(8-6-14)22-19(24)15-3-2-10-21-12-15/h2-12H,1H3,(H,22,24)
InChIKeyOEXDDQSHGYFOCH-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.45
Rot. Bonds3

About N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide

N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 1114156) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID1114156
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC NameN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)oc2c1
InChIInChI=1S/C20H15N3O2/c1-13-4-9-17-18(11-13)25-20(23-17)14-5-7-16(8-6-14)22-19(24)15-3-2-10-21-12-15/h2-12H,1H3,(H,22,24)
InChIKeyOEXDDQSHGYFOCH-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

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Related Compounds

Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
2-(3-Pyridyl)benzoxazole
CID 16803
A 33853
CID 133379
BI 99179
CID 51346964
3-(6-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 721026
4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 350189
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(3-(benzyloxy)phenyl)-propane
CID 16735160
3-[4-(Phenylamino)phenyl]-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16736227
N-[1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472810
4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 675056
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 921484
3-ethoxy-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide
CID 1414353

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide (CID 1114156) is N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)oc2c1.
What is the InChIKey of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is OEXDDQSHGYFOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13-4-9-17-18(11-13)25-20(23-17)14-5-7-16(8-6-14)22-19(24)15-3-2-10-21-12-15/h2-12H,1H3,(H,22,24).
What are the key properties of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-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-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1114156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).