(2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

C19H25N3O2 — CID 95079891

IUPAC(2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)c1
InChIInChI=1S/C19H25N3O2/c1-12(2)15-11-18(24-21-15)17-6-5-9-22(17)19(23)20-16-10-13(3)7-8-14(16)4/h7-8,10-12,17H,5-6,9H2,1-4H3,(H,20,23)/t17-/m1/s1
InChIKeyJXSHYPIFHMCIDB-QGZVFWFLSA-N
MW327.43 g/mol
LogP4.78
Rot. Bonds3

About (2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

(2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 95079891) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID95079891
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)c1
InChIInChI=1S/C19H25N3O2/c1-12(2)15-11-18(24-21-15)17-6-5-9-22(17)19(23)20-16-10-13(3)7-8-14(16)4/h7-8,10-12,17H,5-6,9H2,1-4H3,(H,20,23)/t17-/m1/s1
InChIKeyJXSHYPIFHMCIDB-QGZVFWFLSA-N
XLogP4.78
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 53096429
(2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94138869
N-(2,5-dimethylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001543
(2R)-N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079955
N-(2,4-difluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 53009680
(2R)-N-(2-ethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079965
(2R)-N-(2,4-difluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 93070447
N-(4-chlorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001411
(2S)-N-(2,5-dimethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079905
(2R)-N-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079939
N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895990
(2R)-N-(3-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95080012

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 95079891) is (2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is Cc1ccc(C)c(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)c1.
What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is JXSHYPIFHMCIDB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(2)15-11-18(24-21-15)17-6-5-9-22(17)19(23)20-16-10-13(3)7-8-14(16)4/h7-8,10-12,17H,5-6,9H2,1-4H3,(H,20,23)/t17-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
(2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95079891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).