6-amino-5-(2-ethylcyclohexyl)oxy-3H-1,3-benzoxazol-2-one

C15H20N2O3 — CID 115425899

IUPAC6-amino-5-(2-ethylcyclohexyl)oxy-3H-1,3-benzoxazol-2-one
SMILESCCC1CCCCC1Oc1cc2[nH]c(=O)oc2cc1N
InChIInChI=1S/C15H20N2O3/c1-2-9-5-3-4-6-12(9)19-13-8-11-14(7-10(13)16)20-15(18)17-11/h7-9,12H,2-6,16H2,1H3,(H,17,18)
InChIKeyHPAZCUAJOGPSOH-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.05
Rot. Bonds3

About 6-amino-5-(2-ethylcyclohexyl)oxy-3H-1,3-benzoxazol-2-one

6-amino-5-(2-ethylcyclohexyl)oxy-3H-1,3-benzoxazol-2-one (PubChem CID 115425899) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-amino-5-(2-ethylcyclohexyl)oxy-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-5-(2-ethylcyclohexyl)oxy-3H-1,3-benzoxazol-2-one
PubChem CID115425899
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-amino-5-(2-ethylcyclohexyl)oxy-3H-1,3-benzoxazol-2-one
SMILESCCC1CCCCC1Oc1cc2[nH]c(=O)oc2cc1N
InChIInChI=1S/C15H20N2O3/c1-2-9-5-3-4-6-12(9)19-13-8-11-14(7-10(13)16)20-15(18)17-11/h7-9,12H,2-6,16H2,1H3,(H,17,18)
InChIKeyHPAZCUAJOGPSOH-UHFFFAOYSA-N
XLogP3.05
TPSA81.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-5-(oxolan-3-yloxy)-3H-1,3-benzoxazol-2-one
CID 115425982
7-amino-6-(2-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 43449975
6-amino-5-octoxy-3H-1,3-benzoxazol-2-one
CID 115425928
6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one
CID 115425894
6-amino-5-(3-methoxypropoxy)-3H-1,3-benzoxazol-2-one
CID 113307464
6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one
CID 106359006
4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide
CID 63357412
6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115425364
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-amino-3H-1,3-benzoxazol-2-one
CID 115558920
6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425313
6-amino-5-(2-bromo-4-fluorophenoxy)-3H-1,3-benzoxazol-2-one
CID 115425859
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-ethylcyclohexyl)oxy-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-5-(2-ethylcyclohexyl)oxy-3H-1,3-benzoxazol-2-one (CID 115425899) is 6-amino-5-(2-ethylcyclohexyl)oxy-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-5-(2-ethylcyclohexyl)oxy-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-5-(2-ethylcyclohexyl)oxy-3H-1,3-benzoxazol-2-one is CCC1CCCCC1Oc1cc2[nH]c(=O)oc2cc1N.
What is the InChIKey of 6-amino-5-(2-ethylcyclohexyl)oxy-3H-1,3-benzoxazol-2-one?
The InChIKey is HPAZCUAJOGPSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-9-5-3-4-6-12(9)19-13-8-11-14(7-10(13)16)20-15(18)17-11/h7-9,12H,2-6,16H2,1H3,(H,17,18).
What are the key properties of 6-amino-5-(2-ethylcyclohexyl)oxy-3H-1,3-benzoxazol-2-one?
6-amino-5-(2-ethylcyclohexyl)oxy-3H-1,3-benzoxazol-2-one has a molecular weight of 276.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-ethylcyclohexyl)oxy-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115425899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).