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

C11H15N7O4 — CID 5302270

IUPACN-[2-(dimethylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C11H15N7O4/c1-16(2)4-3-12-10(19)11-14-9(15-22-11)7-17-6-8(5-13-17)18(20)21/h5-6H,3-4,7H2,1-2H3,(H,12,19)
InChIKeyJCWZRXADRYIYOT-UHFFFAOYSA-N
MW309.29 g/mol
LogP-0.49
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 5302270) has the molecular formula C11H15N7O4 and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID5302270
Molecular FormulaC11H15N7O4
Molecular Weight309.29 g/mol
Exact Mass309.12
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C11H15N7O4/c1-16(2)4-3-12-10(19)11-14-9(15-22-11)7-17-6-8(5-13-17)18(20)21/h5-6H,3-4,7H2,1-2H3,(H,12,19)
InChIKeyJCWZRXADRYIYOT-UHFFFAOYSA-N
XLogP-0.49
TPSA132.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 5297979
CID 5297979
CID 5298143
CID 5298143
CID 5297076
CID 5297076
CID 5296996
CID 5296996
CID 5299771
CID 5299771
CID 8027143
CID 8027143
CID 8027145
CID 8027145
CID 53618403
CID 53618403
CID 97832508
CID 97832508
CID 97832516
CID 97832516
CID 121195122
CID 121195122
CID 54595552
CID 54595552

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 5302270) is N-[2-(dimethylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is CN(C)CCNC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is JCWZRXADRYIYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O4/c1-16(2)4-3-12-10(19)11-14-9(15-22-11)7-17-6-8(5-13-17)18(20)21/h5-6H,3-4,7H2,1-2H3,(H,12,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 309.29 g/mol, XLogP of -0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 5302270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).