2-(4-bromophenyl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]acetamide

C17H15BrN4O2 — CID 113023353

IUPAC2-(4-bromophenyl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]acetamide
SMILESCc1cc(Nc2ccc(NC(=O)Cc3ccc(Br)cc3)cn2)no1
InChIInChI=1S/C17H15BrN4O2/c1-11-8-16(22-24-11)21-15-7-6-14(10-19-15)20-17(23)9-12-2-4-13(18)5-3-12/h2-8,10H,9H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyGLTALYRRGFFVEY-UHFFFAOYSA-N
MW387.24 g/mol
LogP4.07
Rot. Bonds5

About 2-(4-bromophenyl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]acetamide

2-(4-bromophenyl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]acetamide (PubChem CID 113023353) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]acetamide
PubChem CID113023353
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name2-(4-bromophenyl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]acetamide
SMILESCc1cc(Nc2ccc(NC(=O)Cc3ccc(Br)cc3)cn2)no1
InChIInChI=1S/C17H15BrN4O2/c1-11-8-16(22-24-11)21-15-7-6-14(10-19-15)20-17(23)9-12-2-4-13(18)5-3-12/h2-8,10H,9H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyGLTALYRRGFFVEY-UHFFFAOYSA-N
XLogP4.07
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109163837
N-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110421673
2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990366
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide
CID 103789943
N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113023357
N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide
CID 113037695
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113016779
N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide
CID 113033886
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-3-pyridinyl)acetamide
CID 47332378
N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109177861
N-(4-acetamidophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109164581

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]acetamide (CID 113023353) is 2-(4-bromophenyl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]acetamide is Cc1cc(Nc2ccc(NC(=O)Cc3ccc(Br)cc3)cn2)no1.
What is the InChIKey of 2-(4-bromophenyl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]acetamide?
The InChIKey is GLTALYRRGFFVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-11-8-16(22-24-11)21-15-7-6-14(10-19-15)20-17(23)9-12-2-4-13(18)5-3-12/h2-8,10H,9H2,1H3,(H,20,23)(H,19,21,22).
What are the key properties of 2-(4-bromophenyl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]acetamide?
2-(4-bromophenyl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]acetamide has a molecular weight of 387.24 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]acetamide is sourced from PubChem (CID 113023353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).