N-cycloheptyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C14H18N6O4 — CID 16764631

IUPACN-cycloheptyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C14H18N6O4/c21-13(16-10-5-3-1-2-4-6-10)14-17-12(18-24-14)9-19-8-11(7-15-19)20(22)23/h7-8,10H,1-6,9H2,(H,16,21)
InChIKeyRZXTWPIUESADPA-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.68
Rot. Bonds5

About N-cycloheptyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

N-cycloheptyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 16764631) has the molecular formula C14H18N6O4 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-cycloheptyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID16764631
Molecular FormulaC14H18N6O4
Molecular Weight334.34 g/mol
Exact Mass334.14
IUPAC NameN-cycloheptyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C14H18N6O4/c21-13(16-10-5-3-1-2-4-6-10)14-17-12(18-24-14)9-19-8-11(7-15-19)20(22)23/h7-8,10H,1-6,9H2,(H,16,21)
InChIKeyRZXTWPIUESADPA-UHFFFAOYSA-N
XLogP1.68
TPSA128.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 16764631) is N-cycloheptyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NC1CCCCCC1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1.
What is the InChIKey of N-cycloheptyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is RZXTWPIUESADPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O4/c21-13(16-10-5-3-1-2-4-6-10)14-17-12(18-24-14)9-19-8-11(7-15-19)20(22)23/h7-8,10H,1-6,9H2,(H,16,21).
What are the key properties of N-cycloheptyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-cycloheptyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 16764631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).