N-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide

C15H11ClFN3O2S — CID 58349862

IUPACN-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCCc1nc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)no2)cs1
InChIInChI=1S/C15H11ClFN3O2S/c1-2-14-19-12(7-23-14)13-6-11(20-22-13)15(21)18-8-3-4-10(17)9(16)5-8/h3-7H,2H2,1H3,(H,18,21)
InChIKeyRUGVOSPPHHBJFO-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.41
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide

N-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 58349862) has the molecular formula C15H11ClFN3O2S and a molecular weight of 351.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID58349862
Molecular FormulaC15H11ClFN3O2S
Molecular Weight351.79 g/mol
Exact Mass351.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCCc1nc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)no2)cs1
InChIInChI=1S/C15H11ClFN3O2S/c1-2-14-19-12(7-23-14)13-6-11(20-22-13)15(21)18-8-3-4-10(17)9(16)5-8/h3-7H,2H2,1H3,(H,18,21)
InChIKeyRUGVOSPPHHBJFO-UHFFFAOYSA-N
XLogP4.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016619
N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 22427594
N-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383862
2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 73051560
3-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-fluoroaniline
CID 115280365
methyl 2-[[(3-chloro-4-fluorophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 4995261
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110313220
5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 55638814
N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 47338086
N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 86768677
2-(2-aminoethyl)-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 66388298

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide (CID 58349862) is N-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide is CCc1nc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)no2)cs1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is RUGVOSPPHHBJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S/c1-2-14-19-12(7-23-14)13-6-11(20-22-13)15(21)18-8-3-4-10(17)9(16)5-8/h3-7H,2H2,1H3,(H,18,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 351.79 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-(2-ethyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 58349862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).