(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid

C17H18N2O4 — CID 119365584

IUPAC(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H18N2O4/c20-16(19-10-4-7-13(19)17(21)22)9-8-15-18-11-14(23-15)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2,(H,21,22)/t13-/m0/s1
InChIKeyMNAUYLDTFXLETP-ZDUSSCGKSA-N
MW314.34 g/mol
LogP2.35
Rot. Bonds5

About (2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119365584) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119365584
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H18N2O4/c20-16(19-10-4-7-13(19)17(21)22)9-8-15-18-11-14(23-15)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2,(H,21,22)/t13-/m0/s1
InChIKeyMNAUYLDTFXLETP-ZDUSSCGKSA-N
XLogP2.35
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-benzylpyrrolidin-1-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 24688231
(2S)-1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperidine-2-carboxylic acid
CID 125130518
N-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide
CID 55965663
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 111560993
(4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one
CID 97251025
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one
CID 56800394
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 37334143
3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid
CID 124699566
1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride
CID 119560940
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119630842
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
CID 95592283
(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 81453761

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid (CID 119365584) is (2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2)o1.
What is the InChIKey of (2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MNAUYLDTFXLETP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-16(19-10-4-7-13(19)17(21)22)9-8-15-18-11-14(23-15)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2,(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119365584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).