ethane;5-methoxy-2-methyl-1,3-benzoxazole

C13H21NO2 — CID 145041643

IUPACethane;5-methoxy-2-methyl-1,3-benzoxazole
SMILESCC.CC.COc1ccc2oc(C)nc2c1
InChIInChI=1S/C9H9NO2.2C2H6/c1-6-10-8-5-7(11-2)3-4-9(8)12-6;2*1-2/h3-5H,1-2H3;2*1-2H3
InChIKeyOUMJQIZEVURZNT-UHFFFAOYSA-N
MW223.32 g/mol
LogP4.20
Rot. Bonds1

About ethane;5-methoxy-2-methyl-1,3-benzoxazole

ethane;5-methoxy-2-methyl-1,3-benzoxazole (PubChem CID 145041643) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is ethane;5-methoxy-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Nameethane;5-methoxy-2-methyl-1,3-benzoxazole
PubChem CID145041643
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nameethane;5-methoxy-2-methyl-1,3-benzoxazole
SMILESCC.CC.COc1ccc2oc(C)nc2c1
InChIInChI=1S/C9H9NO2.2C2H6/c1-6-10-8-5-7(11-2)3-4-9(8)12-6;2*1-2/h3-5H,1-2H3;2*1-2H3
InChIKeyOUMJQIZEVURZNT-UHFFFAOYSA-N
XLogP4.20
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 176938802
2-bromo-5-methoxy-1,3-benzoxazole
CID 83382782
(1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 83859186
2-methyl-1,3-benzoxazole-5-thiol
CID 83529189
2-bromo-1-(5-methoxy-1,3-benzoxazol-2-yl)ethanone
CID 131374321
5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 95910994
N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388020
(2R)-N-(4-methoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25349306
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane
CID 143414521
2-(isocyanomethyl)-5-methoxy-1,3-benzoxazole
CID 83483455

Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-2-methyl-1,3-benzoxazole?
The IUPAC name of ethane;5-methoxy-2-methyl-1,3-benzoxazole (CID 145041643) is ethane;5-methoxy-2-methyl-1,3-benzoxazole.
What is the SMILES notation for ethane;5-methoxy-2-methyl-1,3-benzoxazole?
The canonical SMILES for ethane;5-methoxy-2-methyl-1,3-benzoxazole is CC.CC.COc1ccc2oc(C)nc2c1.
What is the InChIKey of ethane;5-methoxy-2-methyl-1,3-benzoxazole?
The InChIKey is OUMJQIZEVURZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.2C2H6/c1-6-10-8-5-7(11-2)3-4-9(8)12-6;2*1-2/h3-5H,1-2H3;2*1-2H3.
What are the key properties of ethane;5-methoxy-2-methyl-1,3-benzoxazole?
ethane;5-methoxy-2-methyl-1,3-benzoxazole has a molecular weight of 223.32 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 145041643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).