(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C21H27N3O3 — CID 97124040

IUPAC(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C21H27N3O3/c1-13(2)16-6-8-18(9-7-16)24-11-17(10-20(24)25)21(26)23(5)12-19-14(3)22-27-15(19)4/h6-9,13,17H,10-12H2,1-5H3/t17-/m0/s1
InChIKeyCZIQCNKJJLCLAS-KRWDZBQOSA-N
MW369.47 g/mol
LogP3.43
Rot. Bonds5

About (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 97124040) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID97124040
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C21H27N3O3/c1-13(2)16-6-8-18(9-7-16)24-11-17(10-20(24)25)21(26)23(5)12-19-14(3)22-27-15(19)4/h6-9,13,17H,10-12H2,1-5H3/t17-/m0/s1
InChIKeyCZIQCNKJJLCLAS-KRWDZBQOSA-N
XLogP3.43
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97123529
N-methyl-5-oxo-1-(4-propan-2-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 72866826
N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46705245
(3R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 38303823
N-benzyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186693
(3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 95147317
(3S)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate
CID 6936682
(3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95972030
N-benzyl-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17082168
(3S)-5-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97116016
N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 17201834
(3R)-N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 40977067

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 97124040) is (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is Cc1noc(C)c1CN(C)C(=O)[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1.
What is the InChIKey of (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is CZIQCNKJJLCLAS-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-13(2)16-6-8-18(9-7-16)24-11-17(10-20(24)25)21(26)23(5)12-19-14(3)22-27-15(19)4/h6-9,13,17H,10-12H2,1-5H3/t17-/m0/s1.
What are the key properties of (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97124040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).