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

C13H15N3O4 — CID 25102949

IUPACN-(2-hydroxyoxan-4-yl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
SMILESCN(C(=O)c1ccc2nonc2c1)C1CCOC(O)C1
InChIInChI=1S/C13H15N3O4/c1-16(9-4-5-19-12(17)7-9)13(18)8-2-3-10-11(6-8)15-20-14-10/h2-3,6,9,12,17H,4-5,7H2,1H3
InChIKeyHLBMVPANNDDWOF-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.79
Rot. Bonds2

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

N-(2-hydroxyoxan-4-yl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide (PubChem CID 25102949) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(2-hydroxyoxan-4-yl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyoxan-4-yl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
PubChem CID25102949
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC NameN-(2-hydroxyoxan-4-yl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
SMILESCN(C(=O)c1ccc2nonc2c1)C1CCOC(O)C1
InChIInChI=1S/C13H15N3O4/c1-16(9-4-5-19-12(17)7-9)13(18)8-2-3-10-11(6-8)15-20-14-10/h2-3,6,9,12,17H,4-5,7H2,1H3
InChIKeyHLBMVPANNDDWOF-UHFFFAOYSA-N
XLogP0.79
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 67387541
N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 25103066
N-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 25103069
N-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104170
2-[[4-[2,1,3-benzoxadiazole-5-carbonyl(methyl)amino]cyclohexyl]amino]acetic acid
CID 91125463
N-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174
N-(4-azidocyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide;N-methyl-N-[4-(tetrazol-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 160510726
3,4-dihydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 103957367
N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide
CID 110468852
2,1,3-benzoxadiazole-5-carboxamide
CID 22335030
N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide
CID 23588517
N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
CID 143430707

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyoxan-4-yl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyoxan-4-yl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide (CID 25102949) is N-(2-hydroxyoxan-4-yl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyoxan-4-yl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyoxan-4-yl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide is CN(C(=O)c1ccc2nonc2c1)C1CCOC(O)C1.
What is the InChIKey of N-(2-hydroxyoxan-4-yl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide?
The InChIKey is HLBMVPANNDDWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-16(9-4-5-19-12(17)7-9)13(18)8-2-3-10-11(6-8)15-20-14-10/h2-3,6,9,12,17H,4-5,7H2,1H3.
What are the key properties of N-(2-hydroxyoxan-4-yl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide?
N-(2-hydroxyoxan-4-yl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyoxan-4-yl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide is sourced from PubChem (CID 25102949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).