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

C15H14F2N2O4 — CID 24790853

IUPAC[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CCOCC1
InChIInChI=1S/C15H14F2N2O4/c16-12-2-1-10(7-13(12)17)22-9-11-8-14(18-23-11)15(20)19-3-5-21-6-4-19/h1-2,7-8H,3-6,9H2
InChIKeyOLHNNEUBFXRRRX-UHFFFAOYSA-N
MW324.28 g/mol
LogP2.00
Rot. Bonds4

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

[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 24790853) has the molecular formula C15H14F2N2O4 and a molecular weight of 324.28 g/mol. Its IUPAC name is [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
PubChem CID24790853
Molecular FormulaC15H14F2N2O4
Molecular Weight324.28 g/mol
Exact Mass324.09
IUPAC Name[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CCOCC1
InChIInChI=1S/C15H14F2N2O4/c16-12-2-1-10(7-13(12)17)22-9-11-8-14(18-23-11)15(20)19-3-5-21-6-4-19/h1-2,7-8H,3-6,9H2
InChIKeyOLHNNEUBFXRRRX-UHFFFAOYSA-N
XLogP2.00
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 25459404
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 24793443
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone
CID 95210956
azocan-1-yl-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 24793926
(5-ethyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone
CID 53001425
morpholin-4-yl-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46246353
5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 56758678
[2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 46067140
[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 25301894
[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 42415742
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42361769
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959

Frequently Asked Questions

What is the IUPAC name of [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (CID 24790853) is [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is O=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CCOCC1.
What is the InChIKey of [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is OLHNNEUBFXRRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O4/c16-12-2-1-10(7-13(12)17)22-9-11-8-14(18-23-11)15(20)19-3-5-21-6-4-19/h1-2,7-8H,3-6,9H2.
What are the key properties of [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 324.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24790853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).