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

C27H31N3O3 — CID 92605188

IUPAC(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1noc(C)c1C(=O)N1CC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(=O)NC(C)C)C1
InChIInChI=1S/C27H31N3O3/c1-18(2)28-26(32)27(14-15-30(17-27)25(31)24-19(3)29-33-20(24)4)16-21-10-12-23(13-11-21)22-8-6-5-7-9-22/h5-13,18H,14-17H2,1-4H3,(H,28,32)/t27-/m0/s1
InChIKeyUETVHODPBGRWSP-MHZLTWQESA-N
MW445.56 g/mol
LogP4.56
Rot. Bonds6

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

(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 92605188) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID92605188
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1noc(C)c1C(=O)N1CC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(=O)NC(C)C)C1
InChIInChI=1S/C27H31N3O3/c1-18(2)28-26(32)27(14-15-30(17-27)25(31)24-19(3)29-33-20(24)4)16-21-10-12-23(13-11-21)22-8-6-5-7-9-22/h5-13,18H,14-17H2,1-4H3,(H,28,32)/t27-/m0/s1
InChIKeyUETVHODPBGRWSP-MHZLTWQESA-N
XLogP4.56
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92605196
(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592364
(3R)-1-benzoyl-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579911
(3S)-1-benzoyl-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579910
3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 110232491
3-[[3-(4-methylphenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
CID 110229728
(3R)-3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide
CID 92579849
N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231370
(3S)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579964
(3S)-1-(4-aminobenzoyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92579902
(3S)-3-[(3-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 92579934
(3S)-1-(2-methoxyacetyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 92579626

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide (CID 92605188) is (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide is Cc1noc(C)c1C(=O)N1CC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(=O)NC(C)C)C1.
What is the InChIKey of (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is UETVHODPBGRWSP-MHZLTWQESA-N. The full InChI is InChI=1S/C27H31N3O3/c1-18(2)28-26(32)27(14-15-30(17-27)25(31)24-19(3)29-33-20(24)4)16-21-10-12-23(13-11-21)22-8-6-5-7-9-22/h5-13,18H,14-17H2,1-4H3,(H,28,32)/t27-/m0/s1.
What are the key properties of (3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide?
(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 4.56, 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)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 92605188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).