1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one

C20H26N2O2 — CID 95774688

IUPAC1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1
InChIInChI=1S/C20H26N2O2/c1-4-9-17(23)22-13-8-12-16(22)20-21-18(19(24-20)14(2)3)15-10-6-5-7-11-15/h5-7,10-11,14,16H,4,8-9,12-13H2,1-3H3/t16-/m0/s1
InChIKeyTZVDQJIPRFVNPK-INIZCTEOSA-N
MW326.44 g/mol
LogP4.93
Rot. Bonds5

About 1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one

1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one (PubChem CID 95774688) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one
PubChem CID95774688
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1
InChIInChI=1S/C20H26N2O2/c1-4-9-17(23)22-13-8-12-16(22)20-21-18(19(24-20)14(2)3)15-10-6-5-7-11-15/h5-7,10-11,14,16H,4,8-9,12-13H2,1-3H3/t16-/m0/s1
InChIKeyTZVDQJIPRFVNPK-INIZCTEOSA-N
XLogP4.93
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.93
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
7-amino-1-[2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]heptan-1-one;dihydrochloride
CID 119892274
[(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone
CID 124823211
3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid
CID 129468349
[2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119892311
(2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide
CID 95784221
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 4992104
benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 57196602
2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
CID 95785701
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 90564067
2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
CID 95785088
1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 92586495

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one (CID 95774688) is 1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one is CCCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1.
What is the InChIKey of 1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is TZVDQJIPRFVNPK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-9-17(23)22-13-8-12-16(22)20-21-18(19(24-20)14(2)3)15-10-6-5-7-11-15/h5-7,10-11,14,16H,4,8-9,12-13H2,1-3H3/t16-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one?
1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 326.44 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 95774688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).