3-[2-(2-chloro-6-fluorophenyl)propan-2-yl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one

C18H15ClF2N2O2 — CID 135368839

IUPAC3-[2-(2-chloro-6-fluorophenyl)propan-2-yl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESCC(C)(c1c(F)cccc1Cl)c1noc(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C18H15ClF2N2O2/c1-18(2,15-13(19)4-3-5-14(15)21)16-22-25-17(24)23(16)10-11-6-8-12(20)9-7-11/h3-9H,10H2,1-2H3
InChIKeyQVDAHCGNNIGZCQ-UHFFFAOYSA-N
MW364.78 g/mol
LogP4.14
Rot. Bonds4

About 3-[2-(2-chloro-6-fluorophenyl)propan-2-yl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one

3-[2-(2-chloro-6-fluorophenyl)propan-2-yl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 135368839) has the molecular formula C18H15ClF2N2O2 and a molecular weight of 364.78 g/mol. Its IUPAC name is 3-[2-(2-chloro-6-fluorophenyl)propan-2-yl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[2-(2-chloro-6-fluorophenyl)propan-2-yl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID135368839
Molecular FormulaC18H15ClF2N2O2
Molecular Weight364.78 g/mol
Exact Mass364.08
IUPAC Name3-[2-(2-chloro-6-fluorophenyl)propan-2-yl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESCC(C)(c1c(F)cccc1Cl)c1noc(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C18H15ClF2N2O2/c1-18(2,15-13(19)4-3-5-14(15)21)16-22-25-17(24)23(16)10-11-6-8-12(20)9-7-11/h3-9H,10H2,1-2H3
InChIKeyQVDAHCGNNIGZCQ-UHFFFAOYSA-N
XLogP4.14
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloro-6-fluorophenyl)propan-2-yl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[2-(2-chloro-6-fluorophenyl)propan-2-yl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (CID 135368839) is 3-[2-(2-chloro-6-fluorophenyl)propan-2-yl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[2-(2-chloro-6-fluorophenyl)propan-2-yl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[2-(2-chloro-6-fluorophenyl)propan-2-yl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is CC(C)(c1c(F)cccc1Cl)c1noc(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 3-[2-(2-chloro-6-fluorophenyl)propan-2-yl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is QVDAHCGNNIGZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O2/c1-18(2,15-13(19)4-3-5-14(15)21)16-22-25-17(24)23(16)10-11-6-8-12(20)9-7-11/h3-9H,10H2,1-2H3.
What are the key properties of 3-[2-(2-chloro-6-fluorophenyl)propan-2-yl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
3-[2-(2-chloro-6-fluorophenyl)propan-2-yl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 364.78 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloro-6-fluorophenyl)propan-2-yl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135368839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).