N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide

C14H17N3O2 — CID 25103066

IUPACN-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
SMILESCN(C(=O)c1ccc2nonc2c1)C1CCCCC1
InChIInChI=1S/C14H17N3O2/c1-17(11-5-3-2-4-6-11)14(18)10-7-8-12-13(9-10)16-19-15-12/h7-9,11H,2-6H2,1H3
InChIKeyBLCBFBIJROUSPN-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.63
Rot. Bonds2

About N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide

N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide (PubChem CID 25103066) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
PubChem CID25103066
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
SMILESCN(C(=O)c1ccc2nonc2c1)C1CCCCC1
InChIInChI=1S/C14H17N3O2/c1-17(11-5-3-2-4-6-11)14(18)10-7-8-12-13(9-10)16-19-15-12/h7-9,11H,2-6H2,1H3
InChIKeyBLCBFBIJROUSPN-UHFFFAOYSA-N
XLogP2.63
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 67387541
N-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 25103069
N-(2-hydroxyoxan-4-yl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 25102949
2-[[4-[2,1,3-benzoxadiazole-5-carbonyl(methyl)amino]cyclohexyl]amino]acetic acid
CID 91125463
3-bromo-N-cyclohexyl-N-methylbenzamide
CID 19166286
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
N-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104170
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
3-chloro-N-cycloheptyl-4-iodo-N-methylbenzamide
CID 103221242
3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide
CID 43409239
N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107020889
N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide (CID 25103066) is N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide is CN(C(=O)c1ccc2nonc2c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide?
The InChIKey is BLCBFBIJROUSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17(11-5-3-2-4-6-11)14(18)10-7-8-12-13(9-10)16-19-15-12/h7-9,11H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide?
N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide is sourced from PubChem (CID 25103066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).