N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine

C16H16FN5O — CID 133465113

IUPACN-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NCCCc2nc(-c3ccc(F)cc3)no2)nc1
InChIInChI=1S/C16H16FN5O/c1-11-9-19-16(20-10-11)18-8-2-3-14-21-15(22-23-14)12-4-6-13(17)7-5-12/h4-7,9-10H,2-3,8H2,1H3,(H,18,19,20)
InChIKeyCVNSRVIAOABUEL-UHFFFAOYSA-N
MW313.34 g/mol
LogP3.02
Rot. Bonds6

About N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine

N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine (PubChem CID 133465113) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine
PubChem CID133465113
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC NameN-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NCCCc2nc(-c3ccc(F)cc3)no2)nc1
InChIInChI=1S/C16H16FN5O/c1-11-9-19-16(20-10-11)18-8-2-3-14-21-15(22-23-14)12-4-6-13(17)7-5-12/h4-7,9-10H,2-3,8H2,1H3,(H,18,19,20)
InChIKeyCVNSRVIAOABUEL-UHFFFAOYSA-N
XLogP3.02
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-4-methylpyrimidin-2-amine
CID 133464996
5-bromo-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-6-methylpyridin-2-amine
CID 133465031
2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]pyridine-3-carbonitrile
CID 133465110
N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133465033
3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133465065
3,5-difluoro-4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]benzonitrile
CID 133465072
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 51064588
5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133465006
6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-methylpyridazine-3-carboxamide
CID 133464990
3-bromo-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-nitropyridin-4-amine
CID 133465155
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 65285630
6-chloro-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]pyridazine-4-carboxamide
CID 133465063

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine (CID 133465113) is N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine is Cc1cnc(NCCCc2nc(-c3ccc(F)cc3)no2)nc1.
What is the InChIKey of N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine?
The InChIKey is CVNSRVIAOABUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-11-9-19-16(20-10-11)18-8-2-3-14-21-15(22-23-14)12-4-6-13(17)7-5-12/h4-7,9-10H,2-3,8H2,1H3,(H,18,19,20).
What are the key properties of N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine?
N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine has a molecular weight of 313.34 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 133465113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).