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

C13H8ClN3O2S — CID 18587219

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccno1
InChIInChI=1S/C13H8ClN3O2S/c14-9-3-1-8(2-4-9)10-7-20-13(16-10)17-12(18)11-5-6-15-19-11/h1-7H,(H,16,17,18)
InChIKeyVSRINQFQDCRYBG-UHFFFAOYSA-N
MW305.75 g/mol
LogP3.70
Rot. Bonds3

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

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 18587219) has the molecular formula C13H8ClN3O2S and a molecular weight of 305.75 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID18587219
Molecular FormulaC13H8ClN3O2S
Molecular Weight305.75 g/mol
Exact Mass305.00
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccno1
InChIInChI=1S/C13H8ClN3O2S/c14-9-3-1-8(2-4-9)10-7-20-13(16-10)17-12(18)11-5-6-15-19-11/h1-7H,(H,16,17,18)
InChIKeyVSRINQFQDCRYBG-UHFFFAOYSA-N
XLogP3.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 2999703
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
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N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 16804300
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
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N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 3542120
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 31948630
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
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1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea
CID 121080343
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide (CID 18587219) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide is O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccno1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is VSRINQFQDCRYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2S/c14-9-3-1-8(2-4-9)10-7-20-13(16-10)17-12(18)11-5-6-15-19-11/h1-7H,(H,16,17,18).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 305.75 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 18587219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).