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

C19H19ClN2O2 — CID 26350050

IUPAC(5S)-3-benzyl-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CC(Cc2ccccc2)=NO1)c1ccccc1Cl
InChIInChI=1S/C19H19ClN2O2/c1-13(16-9-5-6-10-17(16)20)21-19(23)18-12-15(22-24-18)11-14-7-3-2-4-8-14/h2-10,13,18H,11-12H2,1H3,(H,21,23)/t13-,18-/m0/s1
InChIKeyBEJODHWYWYMKAP-UGSOOPFHSA-N
MW342.83 g/mol
LogP3.90
Rot. Bonds5

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

(5S)-3-benzyl-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 26350050) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is (5S)-3-benzyl-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-benzyl-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID26350050
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name(5S)-3-benzyl-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CC(Cc2ccccc2)=NO1)c1ccccc1Cl
InChIInChI=1S/C19H19ClN2O2/c1-13(16-9-5-6-10-17(16)20)21-19(23)18-12-15(22-24-18)11-14-7-3-2-4-8-14/h2-10,13,18H,11-12H2,1H3,(H,21,23)/t13-,18-/m0/s1
InChIKeyBEJODHWYWYMKAP-UGSOOPFHSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42169616
3-[(4-fluorophenyl)methyl]-N-[furan-2-yl(phenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45191760
3-[(3-chlorophenyl)methyl]-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45196354
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42368144
(5R)-N-[(2R)-butan-2-yl]-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260010
(5S)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260009
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
(5R)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42366800
2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772390
4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide
CID 81378149
(2S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81375531
4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 24515308

Frequently Asked Questions

What is the IUPAC name of (5S)-3-benzyl-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-benzyl-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 26350050) is (5S)-3-benzyl-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-benzyl-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-benzyl-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is C[C@H](NC(=O)[C@@H]1CC(Cc2ccccc2)=NO1)c1ccccc1Cl.
What is the InChIKey of (5S)-3-benzyl-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is BEJODHWYWYMKAP-UGSOOPFHSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13(16-9-5-6-10-17(16)20)21-19(23)18-12-15(22-24-18)11-14-7-3-2-4-8-14/h2-10,13,18H,11-12H2,1H3,(H,21,23)/t13-,18-/m0/s1.
What are the key properties of (5S)-3-benzyl-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-benzyl-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-benzyl-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 26350050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).