(5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H15ClF2N2O3S — CID 52529799

IUPAC(5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H15ClF2N2O3S/c1-9(10-3-2-4-11(7-10)24-17(19)20)21-16(23)13-8-12(22-25-13)14-5-6-15(18)26-14/h2-7,9,13,17H,8H2,1H3,(H,21,23)/t9-,13-/m1/s1
InChIKeyIAHJDHXIRVVYDB-NOZJJQNGSA-N
MW400.83 g/mol
LogP4.37
Rot. Bonds6

About (5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 52529799) has the molecular formula C17H15ClF2N2O3S and a molecular weight of 400.83 g/mol. Its IUPAC name is (5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID52529799
Molecular FormulaC17H15ClF2N2O3S
Molecular Weight400.83 g/mol
Exact Mass400.05
IUPAC Name(5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H15ClF2N2O3S/c1-9(10-3-2-4-11(7-10)24-17(19)20)21-16(23)13-8-12(22-25-13)14-5-6-15(18)26-14/h2-7,9,13,17H,8H2,1H3,(H,21,23)/t9-,13-/m1/s1
InChIKeyIAHJDHXIRVVYDB-NOZJJQNGSA-N
XLogP4.37
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.83
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 106041323
3-(5-chlorothiophen-2-yl)-N-prop-2-ynyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47301490
5-[1-(3-chlorophenyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426929
3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 60527226
3-(5-chlorothiophen-2-yl)-N-(4,5-dimethoxy-2-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55884214
3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495864
3-(5-chlorothiophen-2-yl)-N-[2-(cyclopropanecarbonylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 71939531
N-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 60527538
(5R)-3-(5-chlorothiophen-2-yl)-N-(4-pyrimidin-2-yloxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 97084934
(4-acetamidophenyl) 3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 60524248
N-[1-[3-(difluoromethoxy)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167924571
3-(2,5-dimethoxyphenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095866

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 52529799) is (5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is C[C@@H](NC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1)c1cccc(OC(F)F)c1.
What is the InChIKey of (5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is IAHJDHXIRVVYDB-NOZJJQNGSA-N. The full InChI is InChI=1S/C17H15ClF2N2O3S/c1-9(10-3-2-4-11(7-10)24-17(19)20)21-16(23)13-8-12(22-25-13)14-5-6-15(18)26-14/h2-7,9,13,17H,8H2,1H3,(H,21,23)/t9-,13-/m1/s1.
What are the key properties of (5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 400.83 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 52529799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).