[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone

C14H13FN2O3 — CID 46471000

IUPAC[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cccc(F)c2)no1)N1CCOCC1
InChIInChI=1S/C14H13FN2O3/c15-11-3-1-2-10(8-11)12-9-13(20-16-12)14(18)17-4-6-19-7-5-17/h1-3,8-9H,4-7H2
InChIKeyLLBLTKMOKOSCSA-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.95
Rot. Bonds2

About [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone

[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 46471000) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
PubChem CID46471000
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cccc(F)c2)no1)N1CCOCC1
InChIInChI=1S/C14H13FN2O3/c15-11-3-1-2-10(8-11)12-9-13(20-16-12)14(18)17-4-6-19-7-5-17/h1-3,8-9H,4-7H2
InChIKeyLLBLTKMOKOSCSA-UHFFFAOYSA-N
XLogP1.95
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide
CID 94512779
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 46472464
[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 94643500
5-(morpholine-4-carbonyl)-1,2-oxazole-3-carboxylic acid
CID 117218072
N'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide
CID 46471021
2-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 45032454
N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46472289
N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068883
3-(3-fluorophenyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 46474047
[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 46472002
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 110164148
[4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 60956875

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (CID 46471000) is [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2cccc(F)c2)no1)N1CCOCC1.
What is the InChIKey of [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is LLBLTKMOKOSCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-11-3-1-2-10(8-11)12-9-13(20-16-12)14(18)17-4-6-19-7-5-17/h1-3,8-9H,4-7H2.
What are the key properties of [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 276.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 46471000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).