N-phenyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-3-amine

C14H15N5O — CID 167906135

IUPACN-phenyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-3-amine
SMILESCCC(c1nc(Nc2ccccc2)no1)n1cccn1
InChIInChI=1S/C14H15N5O/c1-2-12(19-10-6-9-15-19)13-17-14(18-20-13)16-11-7-4-3-5-8-11/h3-10,12H,2H2,1H3,(H,16,18)
InChIKeyNFFITJYYPJHUBD-UHFFFAOYSA-N
MW269.31 g/mol
LogP3.01
Rot. Bonds5

About N-phenyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-3-amine

N-phenyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-3-amine (PubChem CID 167906135) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-phenyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-phenyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-3-amine
PubChem CID167906135
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-phenyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-3-amine
SMILESCCC(c1nc(Nc2ccccc2)no1)n1cccn1
InChIInChI=1S/C14H15N5O/c1-2-12(19-10-6-9-15-19)13-17-14(18-20-13)16-11-7-4-3-5-8-11/h3-10,12H,2H2,1H3,(H,16,18)
InChIKeyNFFITJYYPJHUBD-UHFFFAOYSA-N
XLogP3.01
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine
CID 141401683
1-ethyl-4-(1-pyrazol-1-ylpropyl)pyrazole
CID 141401670
(3S)-N-phenyl-3-pyrazol-1-ylbutanamide
CID 92708085
3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
CID 103095669
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 119223934
N-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine
CID 106574962
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide
CID 122265357
N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine
CID 43704473
5-methyl-4-pentan-3-ylsulfanyl-N-phenylpyrimidin-2-amine
CID 175747429
3-methyl-5-[(1S)-1-[4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]propyl]-1,2,4-oxadiazole
CID 95123045
1-(2-anilinopyrimidin-4-yl)propan-1-one
CID 10198463

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-phenyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-3-amine (CID 167906135) is N-phenyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-phenyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-phenyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-3-amine is CCC(c1nc(Nc2ccccc2)no1)n1cccn1.
What is the InChIKey of N-phenyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is NFFITJYYPJHUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-12(19-10-6-9-15-19)13-17-14(18-20-13)16-11-7-4-3-5-8-11/h3-10,12H,2H2,1H3,(H,16,18).
What are the key properties of N-phenyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-3-amine?
N-phenyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 269.31 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-(1-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 167906135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).