(5S)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H19ClN2O2 — CID 42366793

IUPAC(5S)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)[C@@H]1CC(Cc2cccc(Cl)c2)=NO1
InChIInChI=1S/C19H19ClN2O2/c1-13-5-2-3-7-15(13)12-21-19(23)18-11-17(22-24-18)10-14-6-4-8-16(20)9-14/h2-9,18H,10-12H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyARZQNTOMANCFGE-SFHVURJKSA-N
MW342.83 g/mol
LogP3.65
Rot. Bonds5

About (5S)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 42366793) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is (5S)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID42366793
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name(5S)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)[C@@H]1CC(Cc2cccc(Cl)c2)=NO1
InChIInChI=1S/C19H19ClN2O2/c1-13-5-2-3-7-15(13)12-21-19(23)18-11-17(22-24-18)10-14-6-4-8-16(20)9-14/h2-9,18H,10-12H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyARZQNTOMANCFGE-SFHVURJKSA-N
XLogP3.65
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 11958543
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 11958545
3-[2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681875
N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681935
3-(2,6-dichlorophenyl)-N-[3-(trifluoromethyl)benzyl]-2-isoxazoline-5-carboxamide
CID 11958503
3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2962185
3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-4,5-dihydro-5-isoxazolecarboxamide
CID 3158038
N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2815876
3-(2,4-Dichlorophenyl)-N-(4-fluorobenzyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 83289713
3-tert-butyl-1-[(3-chlorophenyl)methyl]-1-[[(5R)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 8050640
N-[(3-chlorophenyl)methyl]-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide
CID 8104476
N-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45168239

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 42366793) is (5S)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccccc1CNC(=O)[C@@H]1CC(Cc2cccc(Cl)c2)=NO1.
What is the InChIKey of (5S)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ARZQNTOMANCFGE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13-5-2-3-7-15(13)12-21-19(23)18-11-17(22-24-18)10-14-6-4-8-16(20)9-14/h2-9,18H,10-12H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of (5S)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 42366793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).