3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid

C19H24N2O3 — CID 129468349

IUPAC3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid
SMILESCC(C)c1oc([C@H]2CCCN2CCC(=O)O)nc1-c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-13(2)18-17(14-7-4-3-5-8-14)20-19(24-18)15-9-6-11-21(15)12-10-16(22)23/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyWGGDGLVUIUHZLW-OAHLLOKOSA-N
MW328.41 g/mol
LogP4.08
Rot. Bonds6

About 3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid

3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid (PubChem CID 129468349) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid
PubChem CID129468349
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid
SMILESCC(C)c1oc([C@H]2CCCN2CCC(=O)O)nc1-c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-13(2)18-17(14-7-4-3-5-8-14)20-19(24-18)15-9-6-11-21(15)12-10-16(22)23/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyWGGDGLVUIUHZLW-OAHLLOKOSA-N
XLogP4.08
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid with MolForge

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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
1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 95774688
[(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone
CID 124823211
7-amino-1-[2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]heptan-1-one;dihydrochloride
CID 119892274
[2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119892311
2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
CID 95785701
(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
3-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propanoic acid
CID 125146594
3-[2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid
CID 25248436
3-[(2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]propanoic acid
CID 42576553
benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 57196602

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid (CID 129468349) is 3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid is CC(C)c1oc([C@H]2CCCN2CCC(=O)O)nc1-c1ccccc1.
What is the InChIKey of 3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid?
The InChIKey is WGGDGLVUIUHZLW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(2)18-17(14-7-4-3-5-8-14)20-19(24-18)15-9-6-11-21(15)12-10-16(22)23/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,22,23)/t15-/m1/s1.
What are the key properties of 3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid?
3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 129468349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).