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

C19H15ClN4O3S2 — CID 60529664

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C3CC(c4ccc(Cl)s4)=NO3)n2)cc1
InChIInChI=1S/C19H15ClN4O3S2/c1-10(25)21-12-4-2-11(3-5-12)14-9-28-19(22-14)23-18(26)15-8-13(24-27-15)16-6-7-17(20)29-16/h2-7,9,15H,8H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyXPCNGOSIILGJGF-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.62
Rot. Bonds5

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

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 60529664) has the molecular formula C19H15ClN4O3S2 and a molecular weight of 446.94 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID60529664
Molecular FormulaC19H15ClN4O3S2
Molecular Weight446.94 g/mol
Exact Mass446.03
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C3CC(c4ccc(Cl)s4)=NO3)n2)cc1
InChIInChI=1S/C19H15ClN4O3S2/c1-10(25)21-12-4-2-11(3-5-12)14-9-28-19(22-14)23-18(26)15-8-13(24-27-15)16-6-7-17(20)29-16/h2-7,9,15H,8H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyXPCNGOSIILGJGF-UHFFFAOYSA-N
XLogP4.62
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 60527538
3-(5-chlorothiophen-2-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 60529598
3-(5-chlorothiophen-2-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 75463209
(4-acetamidophenyl) 3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 60524248
N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55891968
(5R)-3-(5-chlorothiophen-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 97084934
3-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47061847
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 119676273
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
3-(3-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071660
N-(2-bromo-4-methylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 60529615
trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2574692

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 60529664) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(=O)Nc1ccc(-c2csc(NC(=O)C3CC(c4ccc(Cl)s4)=NO3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is XPCNGOSIILGJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3S2/c1-10(25)21-12-4-2-11(3-5-12)14-9-28-19(22-14)23-18(26)15-8-13(24-27-15)16-6-7-17(20)29-16/h2-7,9,15H,8H2,1H3,(H,21,25)(H,22,23,26).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 446.94 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 60529664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).