5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine

C15H12FN3O2 — CID 155807608

IUPAC5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(Nc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C15H12FN3O2/c1-20-13-8-6-12(7-9-13)17-15-19-18-14(21-15)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,17,19)
InChIKeyBMAJWALEKVEPRR-UHFFFAOYSA-N
MW285.28 g/mol
LogP3.63
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine

5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 155807608) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID155807608
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(Nc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C15H12FN3O2/c1-20-13-8-6-12(7-9-13)17-15-19-18-14(21-15)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,17,19)
InChIKeyBMAJWALEKVEPRR-UHFFFAOYSA-N
XLogP3.63
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
N-(4-fluorophenyl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 71527254
5-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 7110023
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide
CID 155302345
N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 122395303
5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11463599
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521216
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide
CID 110334066
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
5-(3-chloro-1-benzothiophen-2-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 15141974
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
4-(benzenesulfonyl)-N-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826989

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 155807608) is 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is COc1ccc(Nc2nnc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is BMAJWALEKVEPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-20-13-8-6-12(7-9-13)17-15-19-18-14(21-15)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,17,19).
What are the key properties of 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 285.28 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 155807608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).