N-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide

C14H17N3O3 — CID 67387541

IUPACN-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
SMILESCN(C(=O)c1ccc2nonc2c1)C1CCCC(O)C1
InChIInChI=1S/C14H17N3O3/c1-17(10-3-2-4-11(18)8-10)14(19)9-5-6-12-13(7-9)16-20-15-12/h5-7,10-11,18H,2-4,8H2,1H3
InChIKeyDFEOPWFAMATGOU-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.60
Rot. Bonds2

About N-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide

N-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide (PubChem CID 67387541) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
PubChem CID67387541
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
SMILESCN(C(=O)c1ccc2nonc2c1)C1CCCC(O)C1
InChIInChI=1S/C14H17N3O3/c1-17(10-3-2-4-11(18)8-10)14(19)9-5-6-12-13(7-9)16-20-15-12/h5-7,10-11,18H,2-4,8H2,1H3
InChIKeyDFEOPWFAMATGOU-UHFFFAOYSA-N
XLogP1.60
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.60
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
N-(2-hydroxyoxan-4-yl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 25102949
N-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 25103069
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-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104170
N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
CID 143430707
3-[methyl-(3-methylcyclohexyl)carbamoyl]benzoic acid
CID 61447304
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone
CID 171945695
6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide
CID 115749091
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide?
The IUPAC name of N-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide (CID 67387541) is N-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide is CN(C(=O)c1ccc2nonc2c1)C1CCCC(O)C1.
What is the InChIKey of N-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide?
The InChIKey is DFEOPWFAMATGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17(10-3-2-4-11(18)8-10)14(19)9-5-6-12-13(7-9)16-20-15-12/h5-7,10-11,18H,2-4,8H2,1H3.
What are the key properties of N-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide?
N-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide is sourced from PubChem (CID 67387541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).