[5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol

C14H9ClFNO3 — CID 131867968

IUPAC[5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccco2)noc1-c1cc(F)ccc1Cl
InChIInChI=1S/C14H9ClFNO3/c15-11-4-3-8(16)6-9(11)14-10(7-18)13(17-20-14)12-2-1-5-19-12/h1-6,18H,7H2
InChIKeyQQNHRHNNAGBBLU-UHFFFAOYSA-N
MW293.68 g/mol
LogP3.89
Rot. Bonds3

About [5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol

[5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol (PubChem CID 131867968) has the molecular formula C14H9ClFNO3 and a molecular weight of 293.68 g/mol. Its IUPAC name is [5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol
PubChem CID131867968
Molecular FormulaC14H9ClFNO3
Molecular Weight293.68 g/mol
Exact Mass293.03
IUPAC Name[5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccco2)noc1-c1cc(F)ccc1Cl
InChIInChI=1S/C14H9ClFNO3/c15-11-4-3-8(16)6-9(11)14-10(7-18)13(17-20-14)12-2-1-5-19-12/h1-6,18H,7H2
InChIKeyQQNHRHNNAGBBLU-UHFFFAOYSA-N
XLogP3.89
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-chloro-5-fluorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol
CID 131867226
[3-(2-chlorophenyl)-5-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868008
[3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol
CID 131868310
[3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867256
[3-(2-chloro-4-fluorophenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867864
[3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868268
[5-(4-chlorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866897
[5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868468
[5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867285
[3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868204
[5-(3-chlorophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867906
[3-(2,5-dichlorophenyl)-5-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol
CID 131868525

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol (CID 131867968) is [5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2ccco2)noc1-c1cc(F)ccc1Cl.
What is the InChIKey of [5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol?
The InChIKey is QQNHRHNNAGBBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO3/c15-11-4-3-8(16)6-9(11)14-10(7-18)13(17-20-14)12-2-1-5-19-12/h1-6,18H,7H2.
What are the key properties of [5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol?
[5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol has a molecular weight of 293.68 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131867968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).