N-(3-methoxypropyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide

C10H17N3O3 — CID 110392987

IUPACN-(3-methoxypropyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCOCCCNC(=O)c1nnc(C(C)C)o1
InChIInChI=1S/C10H17N3O3/c1-7(2)9-12-13-10(16-9)8(14)11-5-4-6-15-3/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyFAIJMHYKTMOUBK-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.96
Rot. Bonds6

About N-(3-methoxypropyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide

N-(3-methoxypropyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392987) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392987
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-(3-methoxypropyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCOCCCNC(=O)c1nnc(C(C)C)o1
InChIInChI=1S/C10H17N3O3/c1-7(2)9-12-13-10(16-9)8(14)11-5-4-6-15-3/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyFAIJMHYKTMOUBK-UHFFFAOYSA-N
XLogP0.96
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-5-propan-2-yl-1,3,4-oxadiazole-2-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

N-(3-methoxypropyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392790
methyl 5-propan-2-yl-1,3,4-oxadiazole-2-carboxylate
CID 112618977
5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391659
5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 22520128
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
3-methoxypropylurea
CID 2064040
N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47213767
N-(2-methoxyethyl)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121073628
N-(2-fluorophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110393088
3-(3-methoxypropylcarbamoyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65368308
2,2-dichloro-N-(3-methoxypropyl)acetamide
CID 3598343
N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 624152

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide (CID 110392987) is N-(3-methoxypropyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide is COCCCNC(=O)c1nnc(C(C)C)o1.
What is the InChIKey of N-(3-methoxypropyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is FAIJMHYKTMOUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(2)9-12-13-10(16-9)8(14)11-5-4-6-15-3/h7H,4-6H2,1-3H3,(H,11,14).
What are the key properties of N-(3-methoxypropyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
N-(3-methoxypropyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 227.26 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).