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

C19H14FN5O — CID 91892606

IUPACN-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESFc1ccc(CNc2ncncc2-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C19H14FN5O/c20-15-8-6-13(7-9-15)10-22-18-16(11-21-12-23-18)19-24-17(25-26-19)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H,21,22,23)
InChIKeyZKFFIMDDDYLXJC-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.94
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (PubChem CID 91892606) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
PubChem CID91892606
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESFc1ccc(CNc2ncncc2-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C19H14FN5O/c20-15-8-6-13(7-9-15)10-22-18-16(11-21-12-23-18)19-24-17(25-26-19)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H,21,22,23)
InChIKeyZKFFIMDDDYLXJC-UHFFFAOYSA-N
XLogP3.94
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (CID 91892606) is N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is Fc1ccc(CNc2ncncc2-c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The InChIKey is ZKFFIMDDDYLXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c20-15-8-6-13(7-9-15)10-22-18-16(11-21-12-23-18)19-24-17(25-26-19)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H,21,22,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine has a molecular weight of 347.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 91892606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).