5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine

C15H11ClFN3O2 — CID 91681973

IUPAC5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(OCc3ccc(F)cc3)c(Cl)c2)o1
InChIInChI=1S/C15H11ClFN3O2/c16-12-7-10(14-19-20-15(18)22-14)3-6-13(12)21-8-9-1-4-11(17)5-2-9/h1-7H,8H2,(H2,18,20)
InChIKeyJMMRAQOMTWBNLK-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.69
Rot. Bonds4

About 5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine

5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91681973) has the molecular formula C15H11ClFN3O2 and a molecular weight of 319.72 g/mol. Its IUPAC name is 5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID91681973
Molecular FormulaC15H11ClFN3O2
Molecular Weight319.72 g/mol
Exact Mass319.05
IUPAC Name5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(OCc3ccc(F)cc3)c(Cl)c2)o1
InChIInChI=1S/C15H11ClFN3O2/c16-12-7-10(14-19-20-15(18)22-14)3-6-13(12)21-8-9-1-4-11(17)5-2-9/h1-7H,8H2,(H2,18,20)
InChIKeyJMMRAQOMTWBNLK-UHFFFAOYSA-N
XLogP3.69
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91681619
5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91682846
5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91681818
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681821
5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91683263
5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681816
5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91686187
5-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine
CID 91686193
CID 88897804
CID 88897804
5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine
CID 91681993
1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 112693380
3-chloro-4-[(4-fluorophenyl)methoxy]benzamide
CID 91681954

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine (CID 91681973) is 5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc(OCc3ccc(F)cc3)c(Cl)c2)o1.
What is the InChIKey of 5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JMMRAQOMTWBNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2/c16-12-7-10(14-19-20-15(18)22-14)3-6-13(12)21-8-9-1-4-11(17)5-2-9/h1-7H,8H2,(H2,18,20).
What are the key properties of 5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 319.72 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91681973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).