ethane;4-ethoxy-1,3-benzoxazole

C11H15NO2 — CID 159856269

IUPACethane;4-ethoxy-1,3-benzoxazole
SMILESCC.CCOc1cccc2ocnc12
InChIInChI=1S/C9H9NO2.C2H6/c1-2-11-7-4-3-5-8-9(7)10-6-12-8;1-2/h3-6H,2H2,1H3;1-2H3
InChIKeyNQOLKJPZIIKFMP-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.25
Rot. Bonds2

About ethane;4-ethoxy-1,3-benzoxazole

ethane;4-ethoxy-1,3-benzoxazole (PubChem CID 159856269) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethane;4-ethoxy-1,3-benzoxazole.

Molecular Properties

Compound Nameethane;4-ethoxy-1,3-benzoxazole
PubChem CID159856269
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethane;4-ethoxy-1,3-benzoxazole
SMILESCC.CCOc1cccc2ocnc12
InChIInChI=1S/C9H9NO2.C2H6/c1-2-11-7-4-3-5-8-9(7)10-6-12-8;1-2/h3-6H,2H2,1H3;1-2H3
InChIKeyNQOLKJPZIIKFMP-UHFFFAOYSA-N
XLogP3.25
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1,3-benzoxazole-4-carboxylate
CID 131699993
1,9-diethoxyphenazine
CID 71668489
3,8-diethoxyquinoline
CID 45094466
2-(1,3-benzoxazol-4-yl)propyl formate
CID 174625080
4,5-diethoxychromen-2-one
CID 90255780
3-(1,3-benzoxazol-4-yl)propan-1-ol
CID 117277496
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
CID 66697967
2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79997949
5-ethoxy-1-methylquinoxalin-1-ium
CID 134914209
8-ethoxyquinoxalin-2-amine
CID 133058071
(2,3-diethoxyphenyl) acetate
CID 19833387
ethane;1-ethoxy-3-fluoro-2-methylbenzene
CID 143520005

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethoxy-1,3-benzoxazole?
The IUPAC name of ethane;4-ethoxy-1,3-benzoxazole (CID 159856269) is ethane;4-ethoxy-1,3-benzoxazole.
What is the SMILES notation for ethane;4-ethoxy-1,3-benzoxazole?
The canonical SMILES for ethane;4-ethoxy-1,3-benzoxazole is CC.CCOc1cccc2ocnc12.
What is the InChIKey of ethane;4-ethoxy-1,3-benzoxazole?
The InChIKey is NQOLKJPZIIKFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.C2H6/c1-2-11-7-4-3-5-8-9(7)10-6-12-8;1-2/h3-6H,2H2,1H3;1-2H3.
What are the key properties of ethane;4-ethoxy-1,3-benzoxazole?
ethane;4-ethoxy-1,3-benzoxazole has a molecular weight of 193.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethoxy-1,3-benzoxazole is sourced from PubChem (CID 159856269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).