2-(methoxymethyl)-5-methyl-1,3-benzoxazole

C10H11NO2 — CID 123289847

IUPAC2-(methoxymethyl)-5-methyl-1,3-benzoxazole
SMILESCOCc1nc2cc(C)ccc2o1
InChIInChI=1S/C10H11NO2/c1-7-3-4-9-8(5-7)11-10(13-9)6-12-2/h3-5H,6H2,1-2H3
InChIKeyNASIDPUGCCTHSC-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.28
Rot. Bonds2

About 2-(methoxymethyl)-5-methyl-1,3-benzoxazole

2-(methoxymethyl)-5-methyl-1,3-benzoxazole (PubChem CID 123289847) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(methoxymethyl)-5-methyl-1,3-benzoxazole
PubChem CID123289847
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(methoxymethyl)-5-methyl-1,3-benzoxazole
SMILESCOCc1nc2cc(C)ccc2o1
InChIInChI=1S/C10H11NO2/c1-7-3-4-9-8(5-7)11-10(13-9)6-12-2/h3-5H,6H2,1-2H3
InChIKeyNASIDPUGCCTHSC-UHFFFAOYSA-N
XLogP2.28
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine
CID 82357690
2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole
CID 10445998
2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)butan-2-amine
CID 62048509
2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine
CID 81085051
1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine
CID 60918378
2-[(2,5-dimethylphenoxy)methyl]-1,3-benzoxazol-5-amine
CID 39111964
2-[[4-(chloromethyl)phenyl]methyl]-5-methyl-1,3-benzoxazole
CID 142008394
6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole
CID 168977711
3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methylbutanamide;hydrochloride
CID 120502106
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381
2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119815470

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(methoxymethyl)-5-methyl-1,3-benzoxazole (CID 123289847) is 2-(methoxymethyl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(methoxymethyl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(methoxymethyl)-5-methyl-1,3-benzoxazole is COCc1nc2cc(C)ccc2o1.
What is the InChIKey of 2-(methoxymethyl)-5-methyl-1,3-benzoxazole?
The InChIKey is NASIDPUGCCTHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7-3-4-9-8(5-7)11-10(13-9)6-12-2/h3-5H,6H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-5-methyl-1,3-benzoxazole?
2-(methoxymethyl)-5-methyl-1,3-benzoxazole has a molecular weight of 177.20 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 123289847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).