N-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide

C15H19N3O3 — CID 25103069

IUPACN-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
SMILESCN(C(=O)c1ccc2nonc2c1)C1CCC(C)(O)CC1
InChIInChI=1S/C15H19N3O3/c1-15(20)7-5-11(6-8-15)18(2)14(19)10-3-4-12-13(9-10)17-21-16-12/h3-4,9,11,20H,5-8H2,1-2H3
InChIKeyJNXJVSPZFAJTMK-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.99
Rot. Bonds2

About N-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide

N-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide (PubChem CID 25103069) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
PubChem CID25103069
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
SMILESCN(C(=O)c1ccc2nonc2c1)C1CCC(C)(O)CC1
InChIInChI=1S/C15H19N3O3/c1-15(20)7-5-11(6-8-15)18(2)14(19)10-3-4-12-13(9-10)17-21-16-12/h3-4,9,11,20H,5-8H2,1-2H3
InChIKeyJNXJVSPZFAJTMK-UHFFFAOYSA-N
XLogP1.99
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 25103066
2-[[4-[2,1,3-benzoxadiazole-5-carbonyl(methyl)amino]cyclohexyl]amino]acetic acid
CID 91125463
N-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 67387541
N-(2-hydroxyoxan-4-yl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 25102949
4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide
CID 155777509
N-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104170
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
N-(4,4-dimethylcyclohexyl)-N-methyl-3-sulfanylbenzamide
CID 107032511
N-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174
N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide
CID 110468852
N-cyclopropyl-3-(dimethylamino)-N-methylbenzamide
CID 110744271
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide?
The IUPAC name of N-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide (CID 25103069) is N-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide?
The canonical SMILES for N-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide is CN(C(=O)c1ccc2nonc2c1)C1CCC(C)(O)CC1.
What is the InChIKey of N-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide?
The InChIKey is JNXJVSPZFAJTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(20)7-5-11(6-8-15)18(2)14(19)10-3-4-12-13(9-10)17-21-16-12/h3-4,9,11,20H,5-8H2,1-2H3.
What are the key properties of N-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide?
N-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide is sourced from PubChem (CID 25103069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).