5-(2-aminophenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide

C20H18N6O2 — CID 45272210

IUPAC5-(2-aminophenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESNc1ccccc1-c1nnc(C(=O)NCc2ccc(Cn3cccn3)cc2)o1
InChIInChI=1S/C20H18N6O2/c21-17-5-2-1-4-16(17)19-24-25-20(28-19)18(27)22-12-14-6-8-15(9-7-14)13-26-11-3-10-23-26/h1-11H,12-13,21H2,(H,22,27)
InChIKeyKSSLPAARWLJEOL-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.49
Rot. Bonds6

About 5-(2-aminophenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide

5-(2-aminophenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 45272210) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-(2-aminophenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminophenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID45272210
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name5-(2-aminophenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESNc1ccccc1-c1nnc(C(=O)NCc2ccc(Cn3cccn3)cc2)o1
InChIInChI=1S/C20H18N6O2/c21-17-5-2-1-4-16(17)19-24-25-20(28-19)18(27)22-12-14-6-8-15(9-7-14)13-26-11-3-10-23-26/h1-11H,12-13,21H2,(H,22,27)
InChIKeyKSSLPAARWLJEOL-UHFFFAOYSA-N
XLogP2.49
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminophenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-aminophenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide (CID 45272210) is 5-(2-aminophenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-aminophenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-aminophenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide is Nc1ccccc1-c1nnc(C(=O)NCc2ccc(Cn3cccn3)cc2)o1.
What is the InChIKey of 5-(2-aminophenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is KSSLPAARWLJEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c21-17-5-2-1-4-16(17)19-24-25-20(28-19)18(27)22-12-14-6-8-15(9-7-14)13-26-11-3-10-23-26/h1-11H,12-13,21H2,(H,22,27).
What are the key properties of 5-(2-aminophenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
5-(2-aminophenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 45272210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).