(5S)-3-(4-chlorophenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H17ClN4O3 — CID 51498199

IUPAC(5S)-3-(4-chlorophenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)no1)[C@@H]1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C20H17ClN4O3/c21-15-8-6-13(7-9-15)16-12-17(27-24-16)20(26)22-11-10-18-23-19(25-28-18)14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,22,26)/t17-/m0/s1
InChIKeyJXNSDQRRAYAXFR-KRWDZBQOSA-N
MW396.83 g/mol
LogP3.24
Rot. Bonds6

About (5S)-3-(4-chlorophenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-(4-chlorophenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 51498199) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is (5S)-3-(4-chlorophenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(4-chlorophenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID51498199
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC Name(5S)-3-(4-chlorophenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)no1)[C@@H]1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C20H17ClN4O3/c21-15-8-6-13(7-9-15)16-12-17(27-24-16)20(26)22-11-10-18-23-19(25-28-18)14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,22,26)/t17-/m0/s1
InChIKeyJXNSDQRRAYAXFR-KRWDZBQOSA-N
XLogP3.24
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 124750059
cis-(1R,2S)-2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131462
(5S)-3-(4-chlorophenyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51498728
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 4897572
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 86957921
3-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,1-dimethylurea
CID 110324015
3-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119782319
3-(4-chlorophenyl)-N-[3-(ethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 24712158
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 154567112
2,4-dichloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 110323319
N-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 115649628
(5S)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 30216143

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-chlorophenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(4-chlorophenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 51498199) is (5S)-3-(4-chlorophenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(4-chlorophenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(4-chlorophenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCCc1nc(-c2ccccc2)no1)[C@@H]1CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of (5S)-3-(4-chlorophenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is JXNSDQRRAYAXFR-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c21-15-8-6-13(7-9-15)16-12-17(27-24-16)20(26)22-11-10-18-23-19(25-28-18)14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,22,26)/t17-/m0/s1.
What are the key properties of (5S)-3-(4-chlorophenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-(4-chlorophenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 396.83 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-chlorophenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51498199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).