(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide

C26H29N3O3 — CID 92592364

IUPAC(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2c(C)noc2C)C1
InChIInChI=1S/C26H29N3O3/c1-4-27-25(31)26(14-15-29(17-26)24(30)23-18(2)28-32-19(23)3)16-21-12-8-9-13-22(21)20-10-6-5-7-11-20/h5-13H,4,14-17H2,1-3H3,(H,27,31)/t26-/m0/s1
InChIKeyKAUYAJSKIVVFAM-SANMLTNESA-N
MW431.54 g/mol
LogP4.17
Rot. Bonds6

About (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92592364) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID92592364
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2c(C)noc2C)C1
InChIInChI=1S/C26H29N3O3/c1-4-27-25(31)26(14-15-29(17-26)24(30)23-18(2)28-32-19(23)3)16-21-12-8-9-13-22(21)20-10-6-5-7-11-20/h5-13H,4,14-17H2,1-3H3,(H,27,31)/t26-/m0/s1
InChIKeyKAUYAJSKIVVFAM-SANMLTNESA-N
XLogP4.17
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-prop-2-ynyl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92605213
(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92605188
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92592029
N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232025
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585170
N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 110230945
N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232027
N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 136854647
1-(3,3-dimethylbutanoyl)-N-ethyl-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 129459434
(3R)-1-butanoyl-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92586237
(3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592198
(3R)-N-ethyl-1-[(3S)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592202

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92592364) is (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide is CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2c(C)noc2C)C1.
What is the InChIKey of (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is KAUYAJSKIVVFAM-SANMLTNESA-N. The full InChI is InChI=1S/C26H29N3O3/c1-4-27-25(31)26(14-15-29(17-26)24(30)23-18(2)28-32-19(23)3)16-21-12-8-9-13-22(21)20-10-6-5-7-11-20/h5-13H,4,14-17H2,1-3H3,(H,27,31)/t26-/m0/s1.
What are the key properties of (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92592364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).