[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

C20H24N2O2 — CID 124816489

IUPAC[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)no1
InChIInChI=1S/C20H24N2O2/c1-12-6-7-15(9-13(12)2)16-11-17(16)20(23)22-8-4-5-19(22)18-10-14(3)24-21-18/h6-7,9-10,16-17,19H,4-5,8,11H2,1-3H3/t16-,17+,19-/m0/s1
InChIKeyVFZMRIQZNKUHAW-SCTDSRPQSA-N
MW324.42 g/mol
LogP4.07
Rot. Bonds3

About [(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 124816489) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID124816489
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)no1
InChIInChI=1S/C20H24N2O2/c1-12-6-7-15(9-13(12)2)16-11-17(16)20(23)22-8-4-5-19(22)18-10-14(3)24-21-18/h6-7,9-10,16-17,19H,4-5,8,11H2,1-3H3/t16-,17+,19-/m0/s1
InChIKeyVFZMRIQZNKUHAW-SCTDSRPQSA-N
XLogP4.07
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
[(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 95589027
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone
CID 95587198
[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 86852013
2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
CID 95049623
methyl 4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzoate
CID 38349038
1-[4-[(1S,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-1,4-diazepan-1-yl]ethanone
CID 95588206
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94093448
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 92553808
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002544

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 124816489) is [(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)no1.
What is the InChIKey of [(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is VFZMRIQZNKUHAW-SCTDSRPQSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-12-6-7-15(9-13(12)2)16-11-17(16)20(23)22-8-4-5-19(22)18-10-14(3)24-21-18/h6-7,9-10,16-17,19H,4-5,8,11H2,1-3H3/t16-,17+,19-/m0/s1.
What are the key properties of [(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124816489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).