(2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide

C17H18ClN3O3 — CID 46844062

IUPAC(2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide
SMILESCCCc1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(Cl)cc2)on1
InChIInChI=1S/C17H18ClN3O3/c1-2-3-12-10-15(24-20-12)19-17(23)14-8-9-16(22)21(14)13-6-4-11(18)5-7-13/h4-7,10,14H,2-3,8-9H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyMVFINHBDGQQSMC-AWEZNQCLSA-N
MW347.80 g/mol
LogP3.41
Rot. Bonds5

About (2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide

(2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 46844062) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID46844062
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name(2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide
SMILESCCCc1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(Cl)cc2)on1
InChIInChI=1S/C17H18ClN3O3/c1-2-3-12-10-15(24-20-12)19-17(23)14-8-9-16(22)21(14)13-6-4-11(18)5-7-13/h4-7,10,14H,2-3,8-9H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyMVFINHBDGQQSMC-AWEZNQCLSA-N
XLogP3.41
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide (CID 46844062) is (2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide is CCCc1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(Cl)cc2)on1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is MVFINHBDGQQSMC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-2-3-12-10-15(24-20-12)19-17(23)14-8-9-16(22)21(14)13-6-4-11(18)5-7-13/h4-7,10,14H,2-3,8-9H2,1H3,(H,19,23)/t14-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46844062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).