1-(3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine

C16H20N6O — CID 56720333

IUPAC1-(3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
SMILESCc1cc(C)n(CC(C)NCc2nc(-c3cccnc3)no2)n1
InChIInChI=1S/C16H20N6O/c1-11-7-13(3)22(20-11)10-12(2)18-9-15-19-16(21-23-15)14-5-4-6-17-8-14/h4-8,12,18H,9-10H2,1-3H3
InChIKeyOAJOKFMWXAGFDL-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.12
Rot. Bonds6

About 1-(3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine

1-(3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine (PubChem CID 56720333) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
PubChem CID56720333
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
SMILESCc1cc(C)n(CC(C)NCc2nc(-c3cccnc3)no2)n1
InChIInChI=1S/C16H20N6O/c1-11-7-13(3)22(20-11)10-12(2)18-9-15-19-16(21-23-15)14-5-4-6-17-8-14/h4-8,12,18H,9-10H2,1-3H3
InChIKeyOAJOKFMWXAGFDL-UHFFFAOYSA-N
XLogP2.12
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine (CID 56720333) is 1-(3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine is Cc1cc(C)n(CC(C)NCc2nc(-c3cccnc3)no2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The InChIKey is OAJOKFMWXAGFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-11-7-13(3)22(20-11)10-12(2)18-9-15-19-16(21-23-15)14-5-4-6-17-8-14/h4-8,12,18H,9-10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
1-(3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine has a molecular weight of 312.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 56720333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).