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

C14H17N3O3 — CID 25104170

IUPACN-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide
SMILESCCN(C(=O)c1ccc2nonc2c1)C1CCOCC1
InChIInChI=1S/C14H17N3O3/c1-2-17(11-5-7-19-8-6-11)14(18)10-3-4-12-13(9-10)16-20-15-12/h3-4,9,11H,2,5-8H2,1H3
InChIKeyZDFHYEKJFJWFSI-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.86
Rot. Bonds3

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

N-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide (PubChem CID 25104170) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide
PubChem CID25104170
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide
SMILESCCN(C(=O)c1ccc2nonc2c1)C1CCOCC1
InChIInChI=1S/C14H17N3O3/c1-2-17(11-5-7-19-8-6-11)14(18)10-3-4-12-13(9-10)16-20-15-12/h3-4,9,11H,2,5-8H2,1H3
InChIKeyZDFHYEKJFJWFSI-UHFFFAOYSA-N
XLogP1.86
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
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-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174
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-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 71796138
N-ethyl-N-(oxan-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylbenzamide
CID 122569865
2-[[4-[2,1,3-benzoxadiazole-5-carbonyl(methyl)amino]cyclohexyl]amino]acetic acid
CID 91125463
3-bromo-N-cyclopropyl-N-ethylbenzamide
CID 43243353
N-cyclopentyl-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 134059774
N-cyclopentyl-N-ethyl-4-hydroxy-3-methylbenzamide
CID 103951919
N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide
CID 110873037

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide?
The IUPAC name of N-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide (CID 25104170) is N-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide is CCN(C(=O)c1ccc2nonc2c1)C1CCOCC1.
What is the InChIKey of N-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide?
The InChIKey is ZDFHYEKJFJWFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-17(11-5-7-19-8-6-11)14(18)10-3-4-12-13(9-10)16-20-15-12/h3-4,9,11H,2,5-8H2,1H3.
What are the key properties of N-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide?
N-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide is sourced from PubChem (CID 25104170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).