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

C14H9Cl2NO3 — CID 131868310

IUPAC[3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccc(Cl)cc2Cl)noc1-c1ccco1
InChIInChI=1S/C14H9Cl2NO3/c15-8-3-4-9(11(16)6-8)13-10(7-18)14(20-17-13)12-2-1-5-19-12/h1-6,18H,7H2
InChIKeyCPNWEFGGDSAQHZ-UHFFFAOYSA-N
MW310.14 g/mol
LogP4.40
Rot. Bonds3

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

[3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868310) has the molecular formula C14H9Cl2NO3 and a molecular weight of 310.14 g/mol. Its IUPAC name is [3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol
PubChem CID131868310
Molecular FormulaC14H9Cl2NO3
Molecular Weight310.14 g/mol
Exact Mass309.00
IUPAC Name[3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccc(Cl)cc2Cl)noc1-c1ccco1
InChIInChI=1S/C14H9Cl2NO3/c15-8-3-4-9(11(16)6-8)13-10(7-18)14(20-17-13)12-2-1-5-19-12/h1-6,18H,7H2
InChIKeyCPNWEFGGDSAQHZ-UHFFFAOYSA-N
XLogP4.40
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 54.40
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
[5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867285
[5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol
CID 131867968
[5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868254
4-(2,4-dichlorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine
CID 43335962
[5-(2,4-dichlorophenyl)-3-(2,6-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867302
[5-(3-chlorophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867906
[3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868268
[3-(2,5-dichlorophenyl)-5-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol
CID 131868525
[3-(2-chlorophenyl)-5-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868008
[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

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol (CID 131868310) is [3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2ccc(Cl)cc2Cl)noc1-c1ccco1.
What is the InChIKey of [3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol?
The InChIKey is CPNWEFGGDSAQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO3/c15-8-3-4-9(11(16)6-8)13-10(7-18)14(20-17-13)12-2-1-5-19-12/h1-6,18H,7H2.
What are the key properties of [3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol?
[3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol has a molecular weight of 310.14 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).