3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide

C16H14N2O2S — CID 53143345

IUPAC3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3ccc(C)s3)no2)c1
InChIInChI=1S/C16H14N2O2S/c1-10-4-3-5-12(8-10)16(19)17-15-9-13(18-20-15)14-7-6-11(2)21-14/h3-9H,1-2H3,(H,17,19)
InChIKeyPBWKWCZFXBPEAW-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.27
Rot. Bonds3

About 3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide

3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide (PubChem CID 53143345) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide
PubChem CID53143345
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3ccc(C)s3)no2)c1
InChIInChI=1S/C16H14N2O2S/c1-10-4-3-5-12(8-10)16(19)17-15-9-13(18-20-15)14-7-6-11(2)21-14/h3-9H,1-2H3,(H,17,19)
InChIKeyPBWKWCZFXBPEAW-UHFFFAOYSA-N
XLogP4.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 53143344
3,5-dimethyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide
CID 53143097
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
3-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 45284583
3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 17217691
3-fluoro-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143326
3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide
CID 11989435
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488570
3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 24709345
N-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-3-methylbenzamide
CID 163752210
3-chloro-6-methyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide
CID 17013549

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide?
The IUPAC name of 3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide (CID 53143345) is 3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide?
The canonical SMILES for 3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide is Cc1cccc(C(=O)Nc2cc(-c3ccc(C)s3)no2)c1.
What is the InChIKey of 3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide?
The InChIKey is PBWKWCZFXBPEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10-4-3-5-12(8-10)16(19)17-15-9-13(18-20-15)14-7-6-11(2)21-14/h3-9H,1-2H3,(H,17,19).
What are the key properties of 3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide?
3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide has a molecular weight of 298.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide is sourced from PubChem (CID 53143345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).