[(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone

C21H26N2O2 — CID 124823211

IUPAC[(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1oc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C)nc1-c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-13(2)19-18(15-8-5-4-6-9-15)22-20(25-19)17-10-7-11-23(17)21(24)16-12-14(16)3/h4-6,8-9,13-14,16-17H,7,10-12H2,1-3H3/t14-,16-,17+/m1/s1
InChIKeyNRYXUHHABNOEPA-OIISXLGYSA-N
MW338.45 g/mol
LogP4.78
Rot. Bonds4

About [(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone

[(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 124823211) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID124823211
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1oc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C)nc1-c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-13(2)19-18(15-8-5-4-6-9-15)22-20(25-19)17-10-7-11-23(17)21(24)16-12-14(16)3/h4-6,8-9,13-14,16-17H,7,10-12H2,1-3H3/t14-,16-,17+/m1/s1
InChIKeyNRYXUHHABNOEPA-OIISXLGYSA-N
XLogP4.78
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 95633427
[2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119892311
1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 95774688
3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid
CID 129468349
7-amino-1-[2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]heptan-1-one;dihydrochloride
CID 119892274
(2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide
CID 95784221
2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
CID 95785088
2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
CID 95785701
benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 57196602
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70787503
[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 100660192
5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid
CID 85274193

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone (CID 124823211) is [(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone is CC(C)c1oc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C)nc1-c1ccccc1.
What is the InChIKey of [(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is NRYXUHHABNOEPA-OIISXLGYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-13(2)19-18(15-8-5-4-6-9-15)22-20(25-19)17-10-7-11-23(17)21(24)16-12-14(16)3/h4-6,8-9,13-14,16-17H,7,10-12H2,1-3H3/t14-,16-,17+/m1/s1.
What are the key properties of [(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone?
[(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124823211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).