(2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide

C24H25N3O3 — CID 129360774

IUPAC(2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-2-25-23(29)24(14-9-15-27(24)22(28)19-12-7-4-8-13-19)17-20-16-21(26-30-20)18-10-5-3-6-11-18/h3-8,10-13,16H,2,9,14-15,17H2,1H3,(H,25,29)/t24-/m1/s1
InChIKeyVQZXEBIECDGLKG-XMMPIXPASA-N
MW403.48 g/mol
LogP3.70
Rot. Bonds6

About (2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide

(2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 129360774) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID129360774
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-2-25-23(29)24(14-9-15-27(24)22(28)19-12-7-4-8-13-19)17-20-16-21(26-30-20)18-10-5-3-6-11-18/h3-8,10-13,16H,2,9,14-15,17H2,1H3,(H,25,29)/t24-/m1/s1
InChIKeyVQZXEBIECDGLKG-XMMPIXPASA-N
XLogP3.70
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-(cyclopentanecarbonyl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-propylpyrrolidine-2-carboxamide
CID 110091614
(3S)-N-ethyl-1-ethylsulfonyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 51595538
1-[2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 110091622
(3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855453
(3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855471
(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855480
(3R)-N-ethyl-1-(3-methylbutanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855475
N-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 46974043
(3R)-1-cyclopentyl-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 95855427
1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 46974085
(3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 95855546
1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 110129865

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide (CID 129360774) is (2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide is CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)c1ccccc1.
What is the InChIKey of (2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is VQZXEBIECDGLKG-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-25-23(29)24(14-9-15-27(24)22(28)19-12-7-4-8-13-19)17-20-16-21(26-30-20)18-10-5-3-6-11-18/h3-8,10-13,16H,2,9,14-15,17H2,1H3,(H,25,29)/t24-/m1/s1.
What are the key properties of (2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide?
(2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 129360774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).