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

C16H18N4O4 — CID 16765761

IUPAC3-cyclopropyl-N-[2-[(3-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1cccc(C(=O)NCCNC(=O)c2nc(C3CC3)no2)c1
InChIInChI=1S/C16H18N4O4/c1-23-12-4-2-3-11(9-12)14(21)17-7-8-18-15(22)16-19-13(20-24-16)10-5-6-10/h2-4,9-10H,5-8H2,1H3,(H,17,21)(H,18,22)
InChIKeyVUSJXOGPWAZKHB-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.12
Rot. Bonds7

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

3-cyclopropyl-N-[2-[(3-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 16765761) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-[(3-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-[(3-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID16765761
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name3-cyclopropyl-N-[2-[(3-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1cccc(C(=O)NCCNC(=O)c2nc(C3CC3)no2)c1
InChIInChI=1S/C16H18N4O4/c1-23-12-4-2-3-11(9-12)14(21)17-7-8-18-15(22)16-19-13(20-24-16)10-5-6-10/h2-4,9-10H,5-8H2,1H3,(H,17,21)(H,18,22)
InChIKeyVUSJXOGPWAZKHB-UHFFFAOYSA-N
XLogP1.12
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-[2-[(3-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083401
3-cyclohexyl-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083415
3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083458
3-cyclohexyl-N-[2-[(3,4-diethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083421
3-cyclohexyl-N-[2-[(2-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083413
3-cyclopropyl-N-[2-(4-methylphenoxy)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 126824030
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 42944644
3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084072
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278671

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-[(3-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-[(3-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide (CID 16765761) is 3-cyclopropyl-N-[2-[(3-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-[(3-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-[(3-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide is COc1cccc(C(=O)NCCNC(=O)c2nc(C3CC3)no2)c1.
What is the InChIKey of 3-cyclopropyl-N-[2-[(3-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is VUSJXOGPWAZKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-23-12-4-2-3-11(9-12)14(21)17-7-8-18-15(22)16-19-13(20-24-16)10-5-6-10/h2-4,9-10H,5-8H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 3-cyclopropyl-N-[2-[(3-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
3-cyclopropyl-N-[2-[(3-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-[(3-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 16765761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).