N-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide

C13H15N3O3 — CID 25104045

IUPACN-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide
SMILESCN(C(=O)c1ccc2nonc2c1)C1CCOCC1
InChIInChI=1S/C13H15N3O3/c1-16(10-4-6-18-7-5-10)13(17)9-2-3-11-12(8-9)15-19-14-11/h2-3,8,10H,4-7H2,1H3
InChIKeyIRYRMRDDVXULFG-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.47
Rot. Bonds2

About N-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide

N-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide (PubChem CID 25104045) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide
PubChem CID25104045
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide
SMILESCN(C(=O)c1ccc2nonc2c1)C1CCOCC1
InChIInChI=1S/C13H15N3O3/c1-16(10-4-6-18-7-5-10)13(17)9-2-3-11-12(8-9)15-19-14-11/h2-3,8,10H,4-7H2,1H3
InChIKeyIRYRMRDDVXULFG-UHFFFAOYSA-N
XLogP1.47
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide?
The IUPAC name of N-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide (CID 25104045) is N-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide is CN(C(=O)c1ccc2nonc2c1)C1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide?
The InChIKey is IRYRMRDDVXULFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-16(10-4-6-18-7-5-10)13(17)9-2-3-11-12(8-9)15-19-14-11/h2-3,8,10H,4-7H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide?
N-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide is sourced from PubChem (CID 25104045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).