2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone

C15H16F2N2O3 — CID 59723793

IUPAC2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1CC(c2ccc(F)cc2F)=NO1)N1CCOCC1
InChIInChI=1S/C15H16F2N2O3/c16-10-1-2-12(13(17)7-10)14-8-11(22-18-14)9-15(20)19-3-5-21-6-4-19/h1-2,7,11H,3-6,8-9H2
InChIKeyGUWOSEVHCSNYFK-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.71
Rot. Bonds3

About 2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone

2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone (PubChem CID 59723793) has the molecular formula C15H16F2N2O3 and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone
PubChem CID59723793
Molecular FormulaC15H16F2N2O3
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC Name2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1CC(c2ccc(F)cc2F)=NO1)N1CCOCC1
InChIInChI=1S/C15H16F2N2O3/c16-10-1-2-12(13(17)7-10)14-8-11(22-18-14)9-15(20)19-3-5-21-6-4-19/h1-2,7,11H,3-6,8-9H2
InChIKeyGUWOSEVHCSNYFK-UHFFFAOYSA-N
XLogP1.71
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone (CID 59723793) is 2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone is O=C(CC1CC(c2ccc(F)cc2F)=NO1)N1CCOCC1.
What is the InChIKey of 2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone?
The InChIKey is GUWOSEVHCSNYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3/c16-10-1-2-12(13(17)7-10)14-8-11(22-18-14)9-15(20)19-3-5-21-6-4-19/h1-2,7,11H,3-6,8-9H2.
What are the key properties of 2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone?
2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone has a molecular weight of 310.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 59723793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).