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

C10H11NO2 — CID 123721014

IUPAC4-(methoxymethyl)-5-methyl-1,2-benzoxazole
SMILESCOCc1c(C)ccc2oncc12
InChIInChI=1S/C10H11NO2/c1-7-3-4-10-8(5-11-13-10)9(7)6-12-2/h3-5H,6H2,1-2H3
InChIKeyCPIIKGCDOYMSSB-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.28
Rot. Bonds2

About 4-(methoxymethyl)-5-methyl-1,2-benzoxazole

4-(methoxymethyl)-5-methyl-1,2-benzoxazole (PubChem CID 123721014) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-(methoxymethyl)-5-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name4-(methoxymethyl)-5-methyl-1,2-benzoxazole
PubChem CID123721014
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4-(methoxymethyl)-5-methyl-1,2-benzoxazole
SMILESCOCc1c(C)ccc2oncc12
InChIInChI=1S/C10H11NO2/c1-7-3-4-10-8(5-11-13-10)9(7)6-12-2/h3-5H,6H2,1-2H3
InChIKeyCPIIKGCDOYMSSB-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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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-5-methyl-1,2-benzoxazole?
The IUPAC name of 4-(methoxymethyl)-5-methyl-1,2-benzoxazole (CID 123721014) is 4-(methoxymethyl)-5-methyl-1,2-benzoxazole.
What is the SMILES notation for 4-(methoxymethyl)-5-methyl-1,2-benzoxazole?
The canonical SMILES for 4-(methoxymethyl)-5-methyl-1,2-benzoxazole is COCc1c(C)ccc2oncc12.
What is the InChIKey of 4-(methoxymethyl)-5-methyl-1,2-benzoxazole?
The InChIKey is CPIIKGCDOYMSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7-3-4-10-8(5-11-13-10)9(7)6-12-2/h3-5H,6H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-5-methyl-1,2-benzoxazole?
4-(methoxymethyl)-5-methyl-1,2-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 4-(methoxymethyl)-5-methyl-1,2-benzoxazole is sourced from PubChem (CID 123721014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).