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

C12H13N3O2 — CID 110691862

IUPACN-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C12H13N3O2/c1-9-11(14-17-13-9)12(16)15(2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyZXFYRROWHMNAJR-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.65
Rot. Bonds3

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

N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 110691862) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID110691862
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC NameN-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C12H13N3O2/c1-9-11(14-17-13-9)12(16)15(2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyZXFYRROWHMNAJR-UHFFFAOYSA-N
XLogP1.65
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62685944
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 55104192
5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide
CID 68805700
(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone
CID 13415356
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-N,4,5-trimethylfuran-2-carboxamide
CID 110697616
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 92597147
N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 22427540
N-benzyl-N,1-dimethylindazole-3-carboxamide
CID 110851100
N-benzyl-N-methyl-5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 46894651
N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27666115

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide (CID 110691862) is N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ZXFYRROWHMNAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-11(14-17-13-9)12(16)15(2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3.
What are the key properties of N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 110691862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).