3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide

C15H15N5O5 — CID 17084113

IUPAC3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1[N+](=O)[O-])c1nc(C2CC2)no1
InChIInChI=1S/C15H15N5O5/c21-13(10-3-1-2-4-11(10)20(23)24)16-7-8-17-14(22)15-18-12(19-25-15)9-5-6-9/h1-4,9H,5-8H2,(H,16,21)(H,17,22)
InChIKeyVQLQYKWAVKOIHY-UHFFFAOYSA-N
MW345.32 g/mol
LogP1.01
Rot. Bonds7

About 3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide

3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 17084113) has the molecular formula C15H15N5O5 and a molecular weight of 345.32 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID17084113
Molecular FormulaC15H15N5O5
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1[N+](=O)[O-])c1nc(C2CC2)no1
InChIInChI=1S/C15H15N5O5/c21-13(10-3-1-2-4-11(10)20(23)24)16-7-8-17-14(22)15-18-12(19-25-15)9-5-6-9/h1-4,9H,5-8H2,(H,16,21)(H,17,22)
InChIKeyVQLQYKWAVKOIHY-UHFFFAOYSA-N
XLogP1.01
TPSA140.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-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

3-cyclohexyl-N-[2-[[2-(2-nitrophenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083459
3-(4-fluorophenyl)-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083922
3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084072
3-(5-chloro-2-methoxyphenyl)-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083580
N-[2-(cycloheptylamino)ethyl]-2-nitrobenzamide;hydrochloride
CID 91645413
N-[3-(cyclopropylamino)propyl]-2-nitrobenzamide
CID 43596318
3-cyclopropyl-N-[2-[(3-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16765761
N-[2-(ethylamino)ethyl]-2-nitrobenzamide
CID 62658043
N-(3-iodopropyl)-2-nitrobenzamide
CID 114504241
N-(3-chloropropyl)-2-nitrobenzamide
CID 3113440
3-cyclopropyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084115
3-cyclohexyl-N-[2-[(3-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083401

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide (CID 17084113) is 3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NCCNC(=O)c1ccccc1[N+](=O)[O-])c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is VQLQYKWAVKOIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O5/c21-13(10-3-1-2-4-11(10)20(23)24)16-7-8-17-14(22)15-18-12(19-25-15)9-5-6-9/h1-4,9H,5-8H2,(H,16,21)(H,17,22).
What are the key properties of 3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 17084113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).