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

C16H13ClFN3O3 — CID 91681818

IUPAC5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(-c2nnc(N)o2)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C16H13ClFN3O3/c1-22-14-6-9(15-20-21-16(19)24-15)3-5-13(14)23-8-10-2-4-11(18)7-12(10)17/h2-7H,8H2,1H3,(H2,19,21)
InChIKeyYNPGOOCZXYPSEN-UHFFFAOYSA-N
MW349.75 g/mol
LogP3.70
Rot. Bonds5

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

5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91681818) has the molecular formula C16H13ClFN3O3 and a molecular weight of 349.75 g/mol. Its IUPAC name is 5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine
PubChem CID91681818
Molecular FormulaC16H13ClFN3O3
Molecular Weight349.75 g/mol
Exact Mass349.06
IUPAC Name5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(-c2nnc(N)o2)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C16H13ClFN3O3/c1-22-14-6-9(15-20-21-16(19)24-15)3-5-13(14)23-8-10-2-4-11(18)7-12(10)17/h2-7H,8H2,1H3,(H2,19,21)
InChIKeyYNPGOOCZXYPSEN-UHFFFAOYSA-N
XLogP3.70
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.75
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-1,3,4-oxadiazol-2-amine
CID 91682150
5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91682846
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681821
5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681973
5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91681619
5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine
CID 91681993
4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide
CID 91681857
7-[(2-chloro-4-fluorophenyl)methoxy]-3-(3,4-dimethoxyphenyl)-4-methylchromen-2-one
CID 44963509
5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593225
2-[2-amino-5-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-chloro-4-fluorophenyl)methoxy]phenol
CID 135652219
4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxybenzenecarbothioamide
CID 102616116
2-[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551916

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine (CID 91681818) is 5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine is COc1cc(-c2nnc(N)o2)ccc1OCc1ccc(F)cc1Cl.
What is the InChIKey of 5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is YNPGOOCZXYPSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O3/c1-22-14-6-9(15-20-21-16(19)24-15)3-5-13(14)23-8-10-2-4-11(18)7-12(10)17/h2-7H,8H2,1H3,(H2,19,21).
What are the key properties of 5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine?
5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 349.75 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91681818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).