5-(oxolan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine

C16H17N5O2 — CID 91647075

IUPAC5-(oxolan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESc1cnn(-c2ccc(CNc3nnc(C4CCCO4)o3)cc2)c1
InChIInChI=1S/C16H17N5O2/c1-3-14(22-10-1)15-19-20-16(23-15)17-11-12-4-6-13(7-5-12)21-9-2-8-18-21/h2,4-9,14H,1,3,10-11H2,(H,17,20)
InChIKeyHITOAUFKQVCVBO-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.72
Rot. Bonds5

About 5-(oxolan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine

5-(oxolan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91647075) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(oxolan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID91647075
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name5-(oxolan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESc1cnn(-c2ccc(CNc3nnc(C4CCCO4)o3)cc2)c1
InChIInChI=1S/C16H17N5O2/c1-3-14(22-10-1)15-19-20-16(23-15)17-11-12-4-6-13(7-5-12)21-9-2-8-18-21/h2,4-9,14H,1,3,10-11H2,(H,17,20)
InChIKeyHITOAUFKQVCVBO-UHFFFAOYSA-N
XLogP2.72
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(oxolan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 91647075) is 5-(oxolan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(oxolan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(oxolan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine is c1cnn(-c2ccc(CNc3nnc(C4CCCO4)o3)cc2)c1.
What is the InChIKey of 5-(oxolan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is HITOAUFKQVCVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-14(22-10-1)15-19-20-16(23-15)17-11-12-4-6-13(7-5-12)21-9-2-8-18-21/h2,4-9,14H,1,3,10-11H2,(H,17,20).
What are the key properties of 5-(oxolan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(oxolan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 311.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91647075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).