1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid

C18H19FN2O4 — CID 119136265

IUPAC1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C18H19FN2O4/c19-14-5-3-12(4-6-14)15-10-20-16(25-15)7-8-17(22)21-9-1-2-13(11-21)18(23)24/h3-6,10,13H,1-2,7-9,11H2,(H,23,24)
InChIKeyMLWPCLSFDHADJT-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.74
Rot. Bonds5

About 1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid

1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid (PubChem CID 119136265) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid
PubChem CID119136265
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C18H19FN2O4/c19-14-5-3-12(4-6-14)15-10-20-16(25-15)7-8-17(22)21-9-1-2-13(11-21)18(23)24/h3-6,10,13H,1-2,7-9,11H2,(H,23,24)
InChIKeyMLWPCLSFDHADJT-UHFFFAOYSA-N
XLogP2.74
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875
(3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid
CID 125149368
N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide
CID 119480187
methyl 1-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylate
CID 108809123
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propan-1-one
CID 87030097
(2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid
CID 124697278
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 111560993
(3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 95327518
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119396415
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46434985
1-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55959264
1-[5-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700978

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid (CID 119136265) is 1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1.
What is the InChIKey of 1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid?
The InChIKey is MLWPCLSFDHADJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c19-14-5-3-12(4-6-14)15-10-20-16(25-15)7-8-17(22)21-9-1-2-13(11-21)18(23)24/h3-6,10,13H,1-2,7-9,11H2,(H,23,24).
What are the key properties of 1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid?
1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid has a molecular weight of 346.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119136265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).