3-(3-chloro-2-methylphenyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one

C15H9ClF2N2O2 — CID 23042116

IUPAC3-(3-chloro-2-methylphenyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one
SMILESCc1c(Cl)cccc1-n1nc(-c2c(F)cccc2F)oc1=O
InChIInChI=1S/C15H9ClF2N2O2/c1-8-9(16)4-2-7-12(8)20-15(21)22-14(19-20)13-10(17)5-3-6-11(13)18/h2-7H,1H3
InChIKeyHNWKYQRFXZQHHX-UHFFFAOYSA-N
MW322.70 g/mol
LogP3.73
Rot. Bonds2

About 3-(3-chloro-2-methylphenyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one

3-(3-chloro-2-methylphenyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one (PubChem CID 23042116) has the molecular formula C15H9ClF2N2O2 and a molecular weight of 322.70 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one
PubChem CID23042116
Molecular FormulaC15H9ClF2N2O2
Molecular Weight322.70 g/mol
Exact Mass322.03
IUPAC Name3-(3-chloro-2-methylphenyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one
SMILESCc1c(Cl)cccc1-n1nc(-c2c(F)cccc2F)oc1=O
InChIInChI=1S/C15H9ClF2N2O2/c1-8-9(16)4-2-7-12(8)20-15(21)22-14(19-20)13-10(17)5-3-6-11(13)18/h2-7H,1H3
InChIKeyHNWKYQRFXZQHHX-UHFFFAOYSA-N
XLogP3.73
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one (CID 23042116) is 3-(3-chloro-2-methylphenyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one is Cc1c(Cl)cccc1-n1nc(-c2c(F)cccc2F)oc1=O.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is HNWKYQRFXZQHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O2/c1-8-9(16)4-2-7-12(8)20-15(21)22-14(19-20)13-10(17)5-3-6-11(13)18/h2-7H,1H3.
What are the key properties of 3-(3-chloro-2-methylphenyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one?
3-(3-chloro-2-methylphenyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 322.70 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 23042116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).