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

C17H16FN3O2 — CID 75458161

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(NCc3ccc(F)c(C)c3)o2)cc1
InChIInChI=1S/C17H16FN3O2/c1-11-9-12(3-8-15(11)18)10-19-17-21-20-16(23-17)13-4-6-14(22-2)7-5-13/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyAMJSWSMAQYYCAF-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.80
Rot. Bonds5

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

N-[(4-fluoro-3-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 75458161) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID75458161
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(NCc3ccc(F)c(C)c3)o2)cc1
InChIInChI=1S/C17H16FN3O2/c1-11-9-12(3-8-15(11)18)10-19-17-21-20-16(23-17)13-4-6-14(22-2)7-5-13/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyAMJSWSMAQYYCAF-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-[(4-fluoro-3-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 75458161) is N-[(4-fluoro-3-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is COc1ccc(-c2nnc(NCc3ccc(F)c(C)c3)o2)cc1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is AMJSWSMAQYYCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-11-9-12(3-8-15(11)18)10-19-17-21-20-16(23-17)13-4-6-14(22-2)7-5-13/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
N-[(4-fluoro-3-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-[(4-fluoro-3-methylphenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75458161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).