N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide

C18H18N4O2 — CID 113037695

IUPACN-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide
SMILESCc1cc(Nc2ccc(NC(=O)CCc3ccccc3)nc2)no1
InChIInChI=1S/C18H18N4O2/c1-13-11-17(22-24-13)20-15-8-9-16(19-12-15)21-18(23)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12H,7,10H2,1H3,(H,20,22)(H,19,21,23)
InChIKeyBAUCDOQAEMHRNF-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.69
Rot. Bonds6

About N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide

N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide (PubChem CID 113037695) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide
PubChem CID113037695
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide
SMILESCc1cc(Nc2ccc(NC(=O)CCc3ccccc3)nc2)no1
InChIInChI=1S/C18H18N4O2/c1-13-11-17(22-24-13)20-15-8-9-16(19-12-15)21-18(23)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12H,7,10H2,1H3,(H,20,22)(H,19,21,23)
InChIKeyBAUCDOQAEMHRNF-UHFFFAOYSA-N
XLogP3.69
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzamide
CID 113037667
N-(6-anilino-3-pyridinyl)-3-phenylpropanamide
CID 113016040
N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016114
3-phenyl-N-[5-(2-phenylethylamino)-2-pyridinyl]propanamide
CID 113028011
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016782
N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113020496
N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110865452
3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide
CID 113019912
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
CID 112507057
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-3-phenylpropanamide
CID 113028481
3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide
CID 113037437
N-(5-methyl-1,2-oxazol-3-yl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191960

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide?
The IUPAC name of N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide (CID 113037695) is N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide?
The canonical SMILES for N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide is Cc1cc(Nc2ccc(NC(=O)CCc3ccccc3)nc2)no1.
What is the InChIKey of N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide?
The InChIKey is BAUCDOQAEMHRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-11-17(22-24-13)20-15-8-9-16(19-12-15)21-18(23)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12H,7,10H2,1H3,(H,20,22)(H,19,21,23).
What are the key properties of N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide?
N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide has a molecular weight of 322.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 113037695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).