[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone

C14H13FN2O2 — CID 110244642

IUPAC[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ncoc1-c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C14H13FN2O2/c15-11-5-3-10(4-6-11)13-12(16-9-19-13)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2
InChIKeyRRVIKAPBZBROPP-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.72
Rot. Bonds2

About [5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone

[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 110244642) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID110244642
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ncoc1-c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C14H13FN2O2/c15-11-5-3-10(4-6-11)13-12(16-9-19-13)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2
InChIKeyRRVIKAPBZBROPP-UHFFFAOYSA-N
XLogP2.72
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone
CID 51494377
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone
CID 51494370
5-(4-fluorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide
CID 51494365
5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide
CID 51494366
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone
CID 119416396
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
CID 119416395
N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 73440583
(3S)-1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119173905
(5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110689240
piperidin-1-yl-[2-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122822
[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 53031921
(1R,9R)-11-[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 98136353

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (CID 110244642) is [5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1ncoc1-c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of [5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RRVIKAPBZBROPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-11-5-3-10(4-6-11)13-12(16-9-19-13)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2.
What are the key properties of [5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 260.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110244642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).