2-(1,2-benzoxazol-3-yl)-N-(5-methyl-2-pyridinyl)acetamide

C15H13N3O2 — CID 1235390

IUPAC2-(1,2-benzoxazol-3-yl)-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)Cc2noc3ccccc23)nc1
InChIInChI=1S/C15H13N3O2/c1-10-6-7-14(16-9-10)17-15(19)8-12-11-4-2-3-5-13(11)20-18-12/h2-7,9H,8H2,1H3,(H,16,17,19)
InChIKeyLLFQFCPRQNCKHU-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.71
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-(5-methyl-2-pyridinyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(5-methyl-2-pyridinyl)acetamide (PubChem CID 1235390) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(5-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(5-methyl-2-pyridinyl)acetamide
PubChem CID1235390
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)Cc2noc3ccccc23)nc1
InChIInChI=1S/C15H13N3O2/c1-10-6-7-14(16-9-10)17-15(19)8-12-11-4-2-3-5-13(11)20-18-12/h2-7,9H,8H2,1H3,(H,16,17,19)
InChIKeyLLFQFCPRQNCKHU-UHFFFAOYSA-N
XLogP2.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,2-benzoxazol-3-yl)-4-[3-(1-propylimidazol-4-yl)-3H-inden-1-yl]pyrrole-2,5-dione
CID 162677487
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
N-(4-methyl-3-(3-methylbenzo[d]isoxazol-5-yl)phenyl)-2-(pyrrolidin-1-yl)isonicotinamide
CID 44580730
N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide
CID 155813831
3-phenyl-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971416
3-[3-(5-{[(1S)-1-phenylethyl]amino}pyrido[4,3-d][1,2]oxazol-3-yl)piperidin-1-yl]propanamide
CID 24971428
N-(2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzisoxazole-3-carboxamide
CID 850408
2-(1,2-benzisoxazol-3-yl)-N-(2-pyridinyl)acetamide
CID 1235386
N-(4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)pyridin-2-yl)acetamide
CID 24901423
3-Methyl-N~4~-(4-methyl-2-pyridyl)-6-(3-nitrophenyl)isoxazolo[5,4-B]pyridine-4-carboxamide
CID 44522102
N-sec-butyl-4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)pyridin-2-amine
CID 44597013
(R)-4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)-N-(1-phenylethyl)pyridin-2-amine
CID 44597109

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(5-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(5-methyl-2-pyridinyl)acetamide (CID 1235390) is 2-(1,2-benzoxazol-3-yl)-N-(5-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(5-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(5-methyl-2-pyridinyl)acetamide is Cc1ccc(NC(=O)Cc2noc3ccccc23)nc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(5-methyl-2-pyridinyl)acetamide?
The InChIKey is LLFQFCPRQNCKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-6-7-14(16-9-10)17-15(19)8-12-11-4-2-3-5-13(11)20-18-12/h2-7,9H,8H2,1H3,(H,16,17,19).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(5-methyl-2-pyridinyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(5-methyl-2-pyridinyl)acetamide has a molecular weight of 267.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(5-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 1235390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).