6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole

C10H10BrNO3 — CID 168977711

IUPAC6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole
SMILESCOCc1nc2cc(OC)c(Br)cc2o1
InChIInChI=1S/C10H10BrNO3/c1-13-5-10-12-7-4-8(14-2)6(11)3-9(7)15-10/h3-4H,5H2,1-2H3
InChIKeyZUHSFAOJDXCJBY-UHFFFAOYSA-N
MW272.10 g/mol
LogP2.75
Rot. Bonds3

About 6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole

6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole (PubChem CID 168977711) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole
PubChem CID168977711
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole
SMILESCOCc1nc2cc(OC)c(Br)cc2o1
InChIInChI=1S/C10H10BrNO3/c1-13-5-10-12-7-4-8(14-2)6(11)3-9(7)15-10/h3-4H,5H2,1-2H3
InChIKeyZUHSFAOJDXCJBY-UHFFFAOYSA-N
XLogP2.75
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)-5-methyl-1,3-benzoxazole
CID 123289847
5,6-dimethoxy-2-(2-methylpropyl)-1,3-benzoxazole
CID 82231715
[2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine
CID 82357690
4-methoxy-2-(methoxymethyl)-1,3-benzoxazole-6-carboxylic acid
CID 22663449
3-(3-bromo-4-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole
CID 2040223
2-ethyl-5-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
CID 168978098
2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
CID 82337499
2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine
CID 39111936
CID 167501058
CID 167501058
3,7-dibromo-2-methoxy-8-methyldibenzofuran
CID 159921662
2-tert-butyl-6-chloro-5-methoxy-1,3-benzoxazole
CID 157153349
2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine
CID 91679204

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole?
The IUPAC name of 6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole (CID 168977711) is 6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole.
What is the SMILES notation for 6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole?
The canonical SMILES for 6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole is COCc1nc2cc(OC)c(Br)cc2o1.
What is the InChIKey of 6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole?
The InChIKey is ZUHSFAOJDXCJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-13-5-10-12-7-4-8(14-2)6(11)3-9(7)15-10/h3-4H,5H2,1-2H3.
What are the key properties of 6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole?
6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole has a molecular weight of 272.10 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methoxy-2-(methoxymethyl)-1,3-benzoxazole is sourced from PubChem (CID 168977711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).