4-methoxy-1,3-benzoxazole

C8H7NO2 — CID 22500935

IUPAC4-methoxy-1,3-benzoxazole
SMILESCOc1cccc2ocnc12
InChIInChI=1S/C8H7NO2/c1-10-6-3-2-4-7-8(6)9-5-11-7/h2-5H,1H3
InChIKeyVHCOEXCZDAHYMW-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.84
Rot. Bonds1

About 4-methoxy-1,3-benzoxazole

4-methoxy-1,3-benzoxazole (PubChem CID 22500935) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 4-methoxy-1,3-benzoxazole.

Molecular Properties

Compound Name4-methoxy-1,3-benzoxazole
PubChem CID22500935
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name4-methoxy-1,3-benzoxazole
SMILESCOc1cccc2ocnc12
InChIInChI=1S/C8H7NO2/c1-10-6-3-2-4-7-8(6)9-5-11-7/h2-5H,1H3
InChIKeyVHCOEXCZDAHYMW-UHFFFAOYSA-N
XLogP1.84
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,3-benzoxazole?
The IUPAC name of 4-methoxy-1,3-benzoxazole (CID 22500935) is 4-methoxy-1,3-benzoxazole.
What is the SMILES notation for 4-methoxy-1,3-benzoxazole?
The canonical SMILES for 4-methoxy-1,3-benzoxazole is COc1cccc2ocnc12.
What is the InChIKey of 4-methoxy-1,3-benzoxazole?
The InChIKey is VHCOEXCZDAHYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-10-6-3-2-4-7-8(6)9-5-11-7/h2-5H,1H3.
What are the key properties of 4-methoxy-1,3-benzoxazole?
4-methoxy-1,3-benzoxazole has a molecular weight of 149.15 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,3-benzoxazole is sourced from PubChem (CID 22500935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).