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

C16H14FN3O2 — CID 142725461

IUPACN-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(NCc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C16H14FN3O2/c1-21-14-8-4-12(5-9-14)15-19-20-16(22-15)18-10-11-2-6-13(17)7-3-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeyMHPNIUQKCRSTQH-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.50
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 142725461) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID142725461
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(NCc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C16H14FN3O2/c1-21-14-8-4-12(5-9-14)15-19-20-16(22-15)18-10-11-2-6-13(17)7-3-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeyMHPNIUQKCRSTQH-UHFFFAOYSA-N
XLogP3.50
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 142725461) is N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is COc1ccc(-c2nnc(NCc3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MHPNIUQKCRSTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-21-14-8-4-12(5-9-14)15-19-20-16(22-15)18-10-11-2-6-13(17)7-3-11/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 299.31 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 142725461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).