(5S)-3-(2,4-dichlorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H19Cl2N3O3 — CID 96999306

IUPAC(5S)-3-(2,4-dichlorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1)C(=O)N1CCCC1
InChIInChI=1S/C17H19Cl2N3O3/c1-10(17(24)22-6-2-3-7-22)20-16(23)15-9-14(21-25-15)12-5-4-11(18)8-13(12)19/h4-5,8,10,15H,2-3,6-7,9H2,1H3,(H,20,23)/t10-,15+/m1/s1
InChIKeyMTQNBEJPOFQKLE-BMIGLBTASA-N
MW384.26 g/mol
LogP2.61
Rot. Bonds4

About (5S)-3-(2,4-dichlorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-(2,4-dichlorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 96999306) has the molecular formula C17H19Cl2N3O3 and a molecular weight of 384.26 g/mol. Its IUPAC name is (5S)-3-(2,4-dichlorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(2,4-dichlorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID96999306
Molecular FormulaC17H19Cl2N3O3
Molecular Weight384.26 g/mol
Exact Mass383.08
IUPAC Name(5S)-3-(2,4-dichlorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1)C(=O)N1CCCC1
InChIInChI=1S/C17H19Cl2N3O3/c1-10(17(24)22-6-2-3-7-22)20-16(23)15-9-14(21-25-15)12-5-4-11(18)8-13(12)19/h4-5,8,10,15H,2-3,6-7,9H2,1H3,(H,20,23)/t10-,15+/m1/s1
InChIKeyMTQNBEJPOFQKLE-BMIGLBTASA-N
XLogP2.61
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 71883639
4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-2-one
CID 71889818
(2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94809931
3-(2,4-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 166188584
3-(2-fluorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 20869151
N-(2,1,3-benzoxadiazol-4-yl)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 154851864
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 95159843
3-(2,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 19863020
(5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829531
1-(azepan-1-yl)-2-(2,4,6-trichloroanilino)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2,4-dichlorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(2,4-dichlorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 96999306) is (5S)-3-(2,4-dichlorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(2,4-dichlorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(2,4-dichlorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is C[C@@H](NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1)C(=O)N1CCCC1.
What is the InChIKey of (5S)-3-(2,4-dichlorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is MTQNBEJPOFQKLE-BMIGLBTASA-N. The full InChI is InChI=1S/C17H19Cl2N3O3/c1-10(17(24)22-6-2-3-7-22)20-16(23)15-9-14(21-25-15)12-5-4-11(18)8-13(12)19/h4-5,8,10,15H,2-3,6-7,9H2,1H3,(H,20,23)/t10-,15+/m1/s1.
What are the key properties of (5S)-3-(2,4-dichlorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-(2,4-dichlorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 384.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2,4-dichlorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 96999306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).