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

C15H17N5O — CID 75498274

IUPACN-[(1-phenylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2ccn(-c3ccccc3)n2)o1
InChIInChI=1S/C15H17N5O/c1-2-6-14-17-18-15(21-14)16-11-12-9-10-20(19-12)13-7-4-3-5-8-13/h3-5,7-10H,2,6,11H2,1H3,(H,16,18)
InChIKeyJMVZLTYWVFIPFL-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.82
Rot. Bonds6

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

N-[(1-phenylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 75498274) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID75498274
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-[(1-phenylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2ccn(-c3ccccc3)n2)o1
InChIInChI=1S/C15H17N5O/c1-2-6-14-17-18-15(21-14)16-11-12-9-10-20(19-12)13-7-4-3-5-8-13/h3-5,7-10H,2,6,11H2,1H3,(H,16,18)
InChIKeyJMVZLTYWVFIPFL-UHFFFAOYSA-N
XLogP2.82
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1-phenylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 75498274) is N-[(1-phenylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1-phenylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1-phenylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NCc2ccn(-c3ccccc3)n2)o1.
What is the InChIKey of N-[(1-phenylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is JMVZLTYWVFIPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-6-14-17-18-15(21-14)16-11-12-9-10-20(19-12)13-7-4-3-5-8-13/h3-5,7-10H,2,6,11H2,1H3,(H,16,18).
What are the key properties of N-[(1-phenylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[(1-phenylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 283.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75498274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).