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

C8H13N3O3 — CID 110392790

IUPACN-(3-methoxypropyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCOCCCNC(=O)c1nnc(C)o1
InChIInChI=1S/C8H13N3O3/c1-6-10-11-8(14-6)7(12)9-4-3-5-13-2/h3-5H2,1-2H3,(H,9,12)
InChIKeyKCKLPXHOAYIWLN-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.14
Rot. Bonds5

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

N-(3-methoxypropyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392790) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392790
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC NameN-(3-methoxypropyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCOCCCNC(=O)c1nnc(C)o1
InChIInChI=1S/C8H13N3O3/c1-6-10-11-8(14-6)7(12)9-4-3-5-13-2/h3-5H2,1-2H3,(H,9,12)
InChIKeyKCKLPXHOAYIWLN-UHFFFAOYSA-N
XLogP0.14
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.14
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-methyl-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-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110392987
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
N-[2-(2-fluorophenyl)ethyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392820
3-methoxypropylurea
CID 2064040
ethyl 5-[2-(3-methoxypropylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazole-2-carboxylate
CID 116699770
5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392803
5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431946
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796
phenyl N-(3-methoxypropyl)carbamate
CID 60636020
N-(2-methoxyethyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide
CID 107914835

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide (CID 110392790) is N-(3-methoxypropyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide is COCCCNC(=O)c1nnc(C)o1.
What is the InChIKey of N-(3-methoxypropyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is KCKLPXHOAYIWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-6-10-11-8(14-6)7(12)9-4-3-5-13-2/h3-5H2,1-2H3,(H,9,12).
What are the key properties of N-(3-methoxypropyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
N-(3-methoxypropyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 199.21 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).