N-[(5-fluoro-2-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine

C17H16FN3O2 — CID 86793879

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(NCc3cc(F)ccc3C)o2)cc1
InChIInChI=1S/C17H16FN3O2/c1-11-3-6-14(18)9-13(11)10-19-17-21-20-16(23-17)12-4-7-15(22-2)8-5-12/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyCFQQCAFPNPKBEQ-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.80
Rot. Bonds5

About N-[(5-fluoro-2-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine

N-[(5-fluoro-2-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 86793879) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID86793879
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(NCc3cc(F)ccc3C)o2)cc1
InChIInChI=1S/C17H16FN3O2/c1-11-3-6-14(18)9-13(11)10-19-17-21-20-16(23-17)12-4-7-15(22-2)8-5-12/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyCFQQCAFPNPKBEQ-UHFFFAOYSA-N
XLogP3.80
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 86793879) is N-[(5-fluoro-2-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is COc1ccc(-c2nnc(NCc3cc(F)ccc3C)o2)cc1.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is CFQQCAFPNPKBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-11-3-6-14(18)9-13(11)10-19-17-21-20-16(23-17)12-4-7-15(22-2)8-5-12/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
N-[(5-fluoro-2-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 313.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86793879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).