N-(6-acetamido-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C18H16N4O3 — CID 2813211

IUPACN-(6-acetamido-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cn1
InChIInChI=1S/C18H16N4O3/c1-11-16(17(22-25-11)13-6-4-3-5-7-13)18(24)21-14-8-9-15(19-10-14)20-12(2)23/h3-10H,1-2H3,(H,21,24)(H,19,20,23)
InChIKeyHYWDWLQQVADKGV-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.26
Rot. Bonds4

About N-(6-acetamido-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(6-acetamido-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 2813211) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(6-acetamido-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID2813211
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-(6-acetamido-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cn1
InChIInChI=1S/C18H16N4O3/c1-11-16(17(22-25-11)13-6-4-3-5-7-13)18(24)21-14-8-9-15(19-10-14)20-12(2)23/h3-10H,1-2H3,(H,21,24)(H,19,20,23)
InChIKeyHYWDWLQQVADKGV-UHFFFAOYSA-N
XLogP3.26
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloropyridin-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1363764
6-cyclopropyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329532
6-cyclopropyl-N-(5-phenyl-1,2-oxazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329533
5-methyl-N-(6-methylpyridin-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1122423
3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-4-isoxazolecarboxamide
CID 741178
3-(2-chlorophenyl)-5-methyl-N-(4-methylpyridin-2-yl)-1,2-oxazole-4-carboxamide
CID 798822
3,5-dimethyl-N-2-pyridinyl-4-isoxazolecarboxamide
CID 1244041
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
5-Methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015566
5-methyl-6-phenyl-3-(pyridin-2-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579324
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one
CID 135471215
5-methyl-3-phenyl-N-(pyridin-3-yl)-1,2-oxazole-4-carboxamide
CID 655003

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-acetamido-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 2813211) is N-(6-acetamido-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-acetamido-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-acetamido-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cn1.
What is the InChIKey of N-(6-acetamido-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is HYWDWLQQVADKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-11-16(17(22-25-11)13-6-4-3-5-7-13)18(24)21-14-8-9-15(19-10-14)20-12(2)23/h3-10H,1-2H3,(H,21,24)(H,19,20,23).
What are the key properties of N-(6-acetamido-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(6-acetamido-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2813211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).