N-(2-fluoro-4-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

C19H14FN5O — CID 91892568

IUPACN-(2-fluoro-4-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESCc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)c(F)c1
InChIInChI=1S/C19H14FN5O/c1-12-7-8-16(15(20)9-12)23-18-14(10-21-11-22-18)19-24-17(25-26-19)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,22,23)
InChIKeyIJGIFMRHHGNPCC-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.38
Rot. Bonds4

About N-(2-fluoro-4-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

N-(2-fluoro-4-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (PubChem CID 91892568) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
PubChem CID91892568
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC NameN-(2-fluoro-4-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESCc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)c(F)c1
InChIInChI=1S/C19H14FN5O/c1-12-7-8-16(15(20)9-12)23-18-14(10-21-11-22-18)19-24-17(25-26-19)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,22,23)
InChIKeyIJGIFMRHHGNPCC-UHFFFAOYSA-N
XLogP4.38
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (CID 91892568) is N-(2-fluoro-4-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is Cc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The InChIKey is IJGIFMRHHGNPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c1-12-7-8-16(15(20)9-12)23-18-14(10-21-11-22-18)19-24-17(25-26-19)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,22,23).
What are the key properties of N-(2-fluoro-4-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
N-(2-fluoro-4-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine has a molecular weight of 347.35 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 91892568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).