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

C15H11ClN2O2S — CID 16867616

IUPAC3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2cccs2)on1)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O2S/c16-11-4-1-3-10(7-11)15(19)17-9-12-8-13(20-18-12)14-5-2-6-21-14/h1-8H,9H2,(H,17,19)
InChIKeyAYEKGIUEZDVCKW-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.99
Rot. Bonds4

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

3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 16867616) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is 3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID16867616
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2cccs2)on1)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O2S/c16-11-4-1-3-10(7-11)15(19)17-9-12-8-13(20-18-12)14-5-2-6-21-14/h1-8H,9H2,(H,17,19)
InChIKeyAYEKGIUEZDVCKW-UHFFFAOYSA-N
XLogP3.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867627
3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108760326
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate
CID 8743810
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867606
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496
3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110415454
3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 9086680
3-bromo-5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 110632140
3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51097703
3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 71683855
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
CID 8648321

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide (CID 16867616) is 3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide is O=C(NCc1cc(-c2cccs2)on1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is AYEKGIUEZDVCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-11-4-1-3-10(7-11)15(19)17-9-12-8-13(20-18-12)14-5-2-6-21-14/h1-8H,9H2,(H,17,19).
What are the key properties of 3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide?
3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 318.79 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 16867616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).