(5S)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C21H19N3O2S — CID 51965289

IUPAC(5S)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)C3=NO[C@H](c4ccccc4)C3)n2)cc1C
InChIInChI=1S/C21H19N3O2S/c1-13-8-9-16(10-14(13)2)18-12-27-21(22-18)23-20(25)17-11-19(26-24-17)15-6-4-3-5-7-15/h3-10,12,19H,11H2,1-2H3,(H,22,23,25)/t19-/m0/s1
InChIKeyLKTLCPDKCWYDII-IBGZPJMESA-N
MW377.47 g/mol
LogP4.88
Rot. Bonds4

About (5S)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

(5S)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 51965289) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is (5S)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name(5S)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID51965289
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name(5S)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)C3=NO[C@H](c4ccccc4)C3)n2)cc1C
InChIInChI=1S/C21H19N3O2S/c1-13-8-9-16(10-14(13)2)18-12-27-21(22-18)23-20(25)17-11-19(26-24-17)15-6-4-3-5-7-15/h3-10,12,19H,11H2,1-2H3,(H,22,23,25)/t19-/m0/s1
InChIKeyLKTLCPDKCWYDII-IBGZPJMESA-N
XLogP4.88
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 4653670
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 734128
tert-butyl N-[[(5R)-3-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
CID 100685574
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 8780732
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 9124109
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1224000
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4277786
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 733842
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 46667849
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 5151402
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565614

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of (5S)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 51965289) is (5S)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for (5S)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for (5S)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is Cc1ccc(-c2csc(NC(=O)C3=NO[C@H](c4ccccc4)C3)n2)cc1C.
What is the InChIKey of (5S)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is LKTLCPDKCWYDII-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-13-8-9-16(10-14(13)2)18-12-27-21(22-18)23-20(25)17-11-19(26-24-17)15-6-4-3-5-7-15/h3-10,12,19H,11H2,1-2H3,(H,22,23,25)/t19-/m0/s1.
What are the key properties of (5S)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
(5S)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51965289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).