4-methyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide

C16H13N3O2 — CID 53143111

IUPAC4-methyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccccn3)no2)cc1
InChIInChI=1S/C16H13N3O2/c1-11-5-7-12(8-6-11)16(20)18-15-10-14(19-21-15)13-4-2-3-9-17-13/h2-10H,1H3,(H,18,20)
InChIKeyXYMDFCQLILMQBJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.30
Rot. Bonds3

About 4-methyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide

4-methyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide (PubChem CID 53143111) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-methyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide
PubChem CID53143111
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-methyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccccn3)no2)cc1
InChIInChI=1S/C16H13N3O2/c1-11-5-7-12(8-6-11)16(20)18-15-10-14(19-21-15)13-4-2-3-9-17-13/h2-10H,1H3,(H,18,20)
InChIKeyXYMDFCQLILMQBJ-UHFFFAOYSA-N
XLogP3.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 4-methyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide (CID 53143111) is 4-methyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 4-methyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide is Cc1ccc(C(=O)Nc2cc(-c3ccccn3)no2)cc1.
What is the InChIKey of 4-methyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide?
The InChIKey is XYMDFCQLILMQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-5-7-12(8-6-11)16(20)18-15-10-14(19-21-15)13-4-2-3-9-17-13/h2-10H,1H3,(H,18,20).
What are the key properties of 4-methyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide?
4-methyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide has a molecular weight of 279.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 53143111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).