N-(4-chlorophenyl)-5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide

C20H14ClN3O2S — CID 2744695

IUPACN-(4-chlorophenyl)-5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(Cl)cc2)c1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H14ClN3O2S/c1-12-17(16-11-27-20(23-16)13-5-3-2-4-6-13)18(24-26-12)19(25)22-15-9-7-14(21)8-10-15/h2-11H,1H3,(H,22,25)
InChIKeyMDNSAHRQCBJZJR-UHFFFAOYSA-N
MW395.87 g/mol
LogP5.68
Rot. Bonds4

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

N-(4-chlorophenyl)-5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 2744695) has the molecular formula C20H14ClN3O2S and a molecular weight of 395.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID2744695
Molecular FormulaC20H14ClN3O2S
Molecular Weight395.87 g/mol
Exact Mass395.05
IUPAC NameN-(4-chlorophenyl)-5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(Cl)cc2)c1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H14ClN3O2S/c1-12-17(16-11-27-20(23-16)13-5-3-2-4-6-13)18(24-26-12)19(25)22-15-9-7-14(21)8-10-15/h2-11H,1H3,(H,22,25)
InChIKeyMDNSAHRQCBJZJR-UHFFFAOYSA-N
XLogP5.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.87
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
3,5-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286288
4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide
CID 2745260
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide
CID 108748167
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3,4-trifluorobenzamide
CID 108748174
(E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108751443
2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748184
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24532559
1-(3-chloro-4-methylphenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286290
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide
CID 108748251
2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 23796735

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide (CID 2744695) is N-(4-chlorophenyl)-5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2ccc(Cl)cc2)c1-c1csc(-c2ccccc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is MDNSAHRQCBJZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2S/c1-12-17(16-11-27-20(23-16)13-5-3-2-4-6-13)18(24-26-12)19(25)22-15-9-7-14(21)8-10-15/h2-11H,1H3,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide?
N-(4-chlorophenyl)-5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 395.87 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2744695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).