3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H17ClN2O2S — CID 60527226

IUPAC3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CC(c2ccc(Cl)s2)=NO1
InChIInChI=1S/C17H17ClN2O2S/c1-3-11-6-4-5-10(2)16(11)19-17(21)13-9-12(20-22-13)14-7-8-15(18)23-14/h4-8,13H,3,9H2,1-2H3,(H,19,21)
InChIKeySGVORWPRKPMPSP-UHFFFAOYSA-N
MW348.86 g/mol
LogP4.40
Rot. Bonds4

About 3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 60527226) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID60527226
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CC(c2ccc(Cl)s2)=NO1
InChIInChI=1S/C17H17ClN2O2S/c1-3-11-6-4-5-10(2)16(11)19-17(21)13-9-12(20-22-13)14-7-8-15(18)23-14/h4-8,13H,3,9H2,1-2H3,(H,19,21)
InChIKeySGVORWPRKPMPSP-UHFFFAOYSA-N
XLogP4.40
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55872638
3-(5-chlorothiophen-2-yl)-N-(4,5-dimethoxy-2-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55884214
3-(5-chlorothiophen-2-yl)-N-prop-2-ynyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47301490
3-(5-chlorothiophen-2-yl)-N-[2-(cyclopropanecarbonylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 71939531
(5R)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 52537526
(5R)-3-(5-chlorothiophen-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 97084934
(5S)-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95653680
3-(5-chlorothiophen-2-yl)-N-(4-cyclopentylsulfonylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51121190
N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493638
(2R)-N-(2-ethyl-6-methylphenyl)oxolane-2-carboxamide
CID 887643
(5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 52529799
(4-acetamidophenyl) 3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 60524248

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 60527226) is 3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCc1cccc(C)c1NC(=O)C1CC(c2ccc(Cl)s2)=NO1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is SGVORWPRKPMPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-3-11-6-4-5-10(2)16(11)19-17(21)13-9-12(20-22-13)14-7-8-15(18)23-14/h4-8,13H,3,9H2,1-2H3,(H,19,21).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 348.86 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 60527226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).