5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide

C13H15N3O2 — CID 110393170

IUPAC5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCNC(=O)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C13H15N3O2/c1-2-8-14-12(17)13-16-15-11(18-13)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,17)
InChIKeyKDZZSIZYUSVLBK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.80
Rot. Bonds5

About 5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide

5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110393170) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110393170
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCNC(=O)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C13H15N3O2/c1-2-8-14-12(17)13-16-15-11(18-13)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,17)
InChIKeyKDZZSIZYUSVLBK-UHFFFAOYSA-N
XLogP1.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-N-butyl-1,3,4-oxadiazole-2-carboxamide
CID 110393174
5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 22520113
N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393441
5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393360
5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393203
N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431653
N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393376
5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393199
5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393297
N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22432031
ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate
CID 110393338
N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393382

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide (CID 110393170) is 5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide is CCCNC(=O)c1nnc(Cc2ccccc2)o1.
What is the InChIKey of 5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is KDZZSIZYUSVLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-8-14-12(17)13-16-15-11(18-13)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,17).
What are the key properties of 5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide?
5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110393170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).