3-(methoxymethyl)-1,2-benzoxazole

C9H9NO2 — CID 119083448

IUPAC3-(methoxymethyl)-1,2-benzoxazole
SMILESCOCc1noc2ccccc12
InChIInChI=1S/C9H9NO2/c1-11-6-8-7-4-2-3-5-9(7)12-10-8/h2-5H,6H2,1H3
InChIKeyLPYAWCXVAACDRN-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.97
Rot. Bonds2

About 3-(methoxymethyl)-1,2-benzoxazole

3-(methoxymethyl)-1,2-benzoxazole (PubChem CID 119083448) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-(methoxymethyl)-1,2-benzoxazole.

Molecular Properties

Compound Name3-(methoxymethyl)-1,2-benzoxazole
PubChem CID119083448
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name3-(methoxymethyl)-1,2-benzoxazole
SMILESCOCc1noc2ccccc12
InChIInChI=1S/C9H9NO2/c1-11-6-8-7-4-2-3-5-9(7)12-10-8/h2-5H,6H2,1H3
InChIKeyLPYAWCXVAACDRN-UHFFFAOYSA-N
XLogP1.97
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-benzoxazol-3-yl)-1-methoxyethanol
CID 152805743
3-(bromomethyl)-1,2-benzoxazole
CID 3499189
3-(2-methylpropyl)-1,2-benzoxazole
CID 20826787
3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole
CID 91419468
3-(2,2-dimethylpropyl)-1,2-benzoxazole;methane
CID 162069739
2-(1,2-benzoxazol-3-yl)-N,N-bis(2-methoxyethyl)acetamide
CID 86907964
3-(3-bromopropyl)-1,2-benzoxazole
CID 118498285
2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115772705
3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole
CID 22989642
2-(1,2-benzoxazol-3-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 46461744
2-(1,2-benzoxazol-3-yl)acetamide;2-(1,2-benzoxazol-3-yl)acetic acid;methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 160649759
1-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)methanesulfonamide
CID 90624516

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1,2-benzoxazole?
The IUPAC name of 3-(methoxymethyl)-1,2-benzoxazole (CID 119083448) is 3-(methoxymethyl)-1,2-benzoxazole.
What is the SMILES notation for 3-(methoxymethyl)-1,2-benzoxazole?
The canonical SMILES for 3-(methoxymethyl)-1,2-benzoxazole is COCc1noc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-1,2-benzoxazole?
The InChIKey is LPYAWCXVAACDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-11-6-8-7-4-2-3-5-9(7)12-10-8/h2-5H,6H2,1H3.
What are the key properties of 3-(methoxymethyl)-1,2-benzoxazole?
3-(methoxymethyl)-1,2-benzoxazole has a molecular weight of 163.18 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1,2-benzoxazole is sourced from PubChem (CID 119083448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).