4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide

C18H17N3O3 — CID 76684731

IUPAC4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide
SMILESCc1noc(C)c1-c1ccc(=O)n(Cc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H17N3O3/c1-11-17(12(2)24-20-11)15-7-8-16(22)21(10-15)9-13-3-5-14(6-4-13)18(19)23/h3-8,10H,9H2,1-2H3,(H2,19,23)
InChIKeyLPWKNQLHBFUTAW-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.27
Rot. Bonds4

About 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide

4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide (PubChem CID 76684731) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide
PubChem CID76684731
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide
SMILESCc1noc(C)c1-c1ccc(=O)n(Cc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H17N3O3/c1-11-17(12(2)24-20-11)15-7-8-16(22)21(10-15)9-13-3-5-14(6-4-13)18(19)23/h3-8,10H,9H2,1-2H3,(H2,19,23)
InChIKeyLPWKNQLHBFUTAW-UHFFFAOYSA-N
XLogP2.27
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide?
The IUPAC name of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide (CID 76684731) is 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide is Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide?
The InChIKey is LPWKNQLHBFUTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-17(12(2)24-20-11)15-7-8-16(22)21(10-15)9-13-3-5-14(6-4-13)18(19)23/h3-8,10H,9H2,1-2H3,(H2,19,23).
What are the key properties of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide?
4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide has a molecular weight of 323.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide is sourced from PubChem (CID 76684731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).