5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide

C14H17N3O3 — CID 22520113

IUPAC5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCNC(=O)c1nnc(Cc2ccccc2OC)o1
InChIInChI=1S/C14H17N3O3/c1-3-8-15-13(18)14-17-16-12(20-14)9-10-6-4-5-7-11(10)19-2/h4-7H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyHKIHPZXCRSJVNF-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.81
Rot. Bonds6

About 5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide

5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22520113) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID22520113
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCNC(=O)c1nnc(Cc2ccccc2OC)o1
InChIInChI=1S/C14H17N3O3/c1-3-8-15-13(18)14-17-16-12(20-14)9-10-6-4-5-7-11(10)19-2/h4-7H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyHKIHPZXCRSJVNF-UHFFFAOYSA-N
XLogP1.81
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431824
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431580
5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 110393170
5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431933
N-[[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62138293
5-benzyl-N-butyl-1,3,4-oxadiazole-2-carboxamide
CID 110393174
5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431946
N-ethyl-2-[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162382
N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431653
N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391649
5-[(2-chlorophenyl)methyl]-N-[2-(3,4-diethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431914
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide (CID 22520113) is 5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide is CCCNC(=O)c1nnc(Cc2ccccc2OC)o1.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is HKIHPZXCRSJVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-8-15-13(18)14-17-16-12(20-14)9-10-6-4-5-7-11(10)19-2/h4-7H,3,8-9H2,1-2H3,(H,15,18).
What are the key properties of 5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide?
5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22520113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).