N-[(3-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-5-carboxamide

C15H13N3O3 — CID 154860068

IUPACN-[(3-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3nonc3c2)c1
InChIInChI=1S/C15H13N3O3/c1-20-12-4-2-3-10(7-12)9-16-15(19)11-5-6-13-14(8-11)18-21-17-13/h2-8H,9H2,1H3,(H,16,19)
InChIKeyYENFHHQYFZKABG-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.16
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-5-carboxamide

N-[(3-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-5-carboxamide (PubChem CID 154860068) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-5-carboxamide
PubChem CID154860068
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-[(3-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3nonc3c2)c1
InChIInChI=1S/C15H13N3O3/c1-20-12-4-2-3-10(7-12)9-16-15(19)11-5-6-13-14(8-11)18-21-17-13/h2-8H,9H2,1H3,(H,16,19)
InChIKeyYENFHHQYFZKABG-UHFFFAOYSA-N
XLogP2.16
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-{[4-(Trifluoromethoxy)anilino]carbonyl}-2,1,3-benzoxadiazol-1-ium-1-olate
CID 2780641
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[c][1,2,5]oxadiazole-5-carboxamide
CID 11618408
[1-(2,1,3-Benzoxadiazol-5-ylmethyl)piperidin-3-yl](4-methoxy-2-methylphenyl)methanone
CID 16190179
N-[4-[3-(2-Methoxyphenyl)piperazin-1-yl]propyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589129
N-[4-[4-(3-Methoxyphenyl)piperazin-1-yl]butyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589131
N-[4-[4-(4-Methoxyphenyl)piperazin-1-yl]butyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589176
N-[4-[4-(2-(2-Fluoroethoxy)phenyl)piperazin-1-yl]butyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589178
N-[4-[4-(3-(2-Fluoroethoxy)phenyl)piperazin-1-yl]butyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589180
N-[4-[4-(3-Fluoro-5-methoxyphenyl)piperazin-1-yl]butyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589378
N-[(3S,5S)-1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-5-(hydroxycarbamoyl)pyrrolidin-3-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium-5-carboxamide
CID 145984335
N-(2-methoxyphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 1131190
N-(3-methoxyphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 3163527

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-5-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-5-carboxamide (CID 154860068) is N-[(3-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-5-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-5-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-5-carboxamide is COc1cccc(CNC(=O)c2ccc3nonc3c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-5-carboxamide?
The InChIKey is YENFHHQYFZKABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-20-12-4-2-3-10(7-12)9-16-15(19)11-5-6-13-14(8-11)18-21-17-13/h2-8H,9H2,1H3,(H,16,19).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-5-carboxamide?
N-[(3-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-5-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-5-carboxamide is sourced from PubChem (CID 154860068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).