N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide

C15H13N3O2S — CID 71858568

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1ccon1
InChIInChI=1S/C15H13N3O2S/c19-14(13-7-9-20-18-13)16-8-6-12-10-21-15(17-12)11-4-2-1-3-5-11/h1-5,7,9-10H,6,8H2,(H,16,19)
InChIKeyYYIPWBHRVSTYMN-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 71858568) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID71858568
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1ccon1
InChIInChI=1S/C15H13N3O2S/c19-14(13-7-9-20-18-13)16-8-6-12-10-21-15(17-12)11-4-2-1-3-5-11/h1-5,7,9-10H,6,8H2,(H,16,19)
InChIKeyYYIPWBHRVSTYMN-UHFFFAOYSA-N
XLogP2.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 71858568) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)c1ccon1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YYIPWBHRVSTYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-14(13-7-9-20-18-13)16-8-6-12-10-21-15(17-12)11-4-2-1-3-5-11/h1-5,7,9-10H,6,8H2,(H,16,19).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71858568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).