N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine

C16H13N5OS — CID 75505684

IUPACN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(-c2[nH]ncc2CNc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C16H13N5OS/c1-2-5-11(6-3-1)14-12(10-18-19-14)9-17-16-21-20-15(22-16)13-7-4-8-23-13/h1-8,10H,9H2,(H,17,21)(H,18,19)
InChIKeyXQIOHJYGBCNMIR-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.80
Rot. Bonds5

About N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine

N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 75505684) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID75505684
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC NameN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(-c2[nH]ncc2CNc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C16H13N5OS/c1-2-5-11(6-3-1)14-12(10-18-19-14)9-17-16-21-20-15(22-16)13-7-4-8-23-13/h1-8,10H,9H2,(H,17,21)(H,18,19)
InChIKeyXQIOHJYGBCNMIR-UHFFFAOYSA-N
XLogP3.80
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (CID 75505684) is N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is c1ccc(-c2[nH]ncc2CNc2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is XQIOHJYGBCNMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-2-5-11(6-3-1)14-12(10-18-19-14)9-17-16-21-20-15(22-16)13-7-4-8-23-13/h1-8,10H,9H2,(H,17,21)(H,18,19).
What are the key properties of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 323.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75505684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).