N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide

C17H14N2O2 — CID 7693891

IUPACN-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccccc3)on2)cc1
InChIInChI=1S/C17H14N2O2/c1-12-7-9-13(10-8-12)15-11-16(21-19-15)18-17(20)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,20)
InChIKeyOSRGJDSKMOIZGW-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.90
Rot. Bonds3

About N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide

N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide (PubChem CID 7693891) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
PubChem CID7693891
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccccc3)on2)cc1
InChIInChI=1S/C17H14N2O2/c1-12-7-9-13(10-8-12)15-11-16(21-19-15)18-17(20)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,20)
InChIKeyOSRGJDSKMOIZGW-UHFFFAOYSA-N
XLogP3.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide?
The IUPAC name of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide (CID 7693891) is N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide.
What is the SMILES notation for N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide?
The canonical SMILES for N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide is Cc1ccc(-c2cc(NC(=O)c3ccccc3)on2)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide?
The InChIKey is OSRGJDSKMOIZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-7-9-13(10-8-12)15-11-16(21-19-15)18-17(20)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,20).
What are the key properties of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide?
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide has a molecular weight of 278.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide is sourced from PubChem (CID 7693891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).