N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide

C17H15ClN2O2S — CID 44522188

IUPACN-[2-(3-chlorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O2S/c1-11-15(16(22-20-11)14-6-3-9-23-14)17(21)19-8-7-12-4-2-5-13(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,21)
InChIKeyVSWATLWKJQBLSV-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.34
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 44522188) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
PubChem CID44522188
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O2S/c1-11-15(16(22-20-11)14-6-3-9-23-14)17(21)19-8-7-12-4-2-5-13(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,21)
InChIKeyVSWATLWKJQBLSV-UHFFFAOYSA-N
XLogP4.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 2811699
(6S)-4-(4-Chlorophenyl)-N-ethyl-2,3,9-trimethyl-6H-isoxazolo[5,4-c]thieno[2,3-e]azepine-6-acetamide
CID 57344431
N-[[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]methyl]acetamide
CID 57344527
5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 2165768
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-thienylmethyl)-4-isoxazolecarboxamide
CID 1247720
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-oxothiolan-3-yl)-1,2-oxazole-4-carboxamide
CID 2820385
5-(3-chlorophenyl)-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 3238357
N-(4-chlorobenzyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 3241596
3-(2-chlorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 3245964
3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 44522175
N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3240914
2-((6R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-isoxazolo[4,5-e]thieno[3,2-c]azepin-6-yl)-N-ethylacetamide
CID 57389114

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (CID 44522188) is N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(-c2cccs2)c1C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is VSWATLWKJQBLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-11-15(16(22-20-11)14-6-3-9-23-14)17(21)19-8-7-12-4-2-5-13(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,21).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 346.84 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 44522188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).