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

C14H17N3O4 — CID 110391659

IUPAC5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOCCCNC(=O)c1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C14H17N3O4/c1-19-9-5-8-15-12(18)14-17-16-13(21-14)10-6-3-4-7-11(10)20-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,15,18)
InChIKeyVBHADYCANZREJD-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.51
Rot. Bonds7

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

5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391659) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391659
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOCCCNC(=O)c1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C14H17N3O4/c1-19-9-5-8-15-12(18)14-17-16-13(21-14)10-6-3-4-7-11(10)20-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,15,18)
InChIKeyVBHADYCANZREJD-UHFFFAOYSA-N
XLogP1.51
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391649
N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391670
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391702
5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391733
5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391661
N-(4-fluorophenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391757
5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide
CID 110391277
methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391789
5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 22520128
N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391776
N-(3-methoxypropyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392790
2-fluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321716

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391659) is 5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide is COCCCNC(=O)c1nnc(-c2ccccc2OC)o1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is VBHADYCANZREJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-19-9-5-8-15-12(18)14-17-16-13(21-14)10-6-3-4-7-11(10)20-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,15,18).
What are the key properties of 5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide?
5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).