7-methoxy-1,2-benzoxazole

C8H7NO2 — CID 19006844

IUPAC7-methoxy-1,2-benzoxazole
SMILESCOc1cccc2cnoc12
InChIInChI=1S/C8H7NO2/c1-10-7-4-2-3-6-5-9-11-8(6)7/h2-5H,1H3
InChIKeyAUZSBHTXASPACC-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.84
Rot. Bonds1

About 7-methoxy-1,2-benzoxazole

7-methoxy-1,2-benzoxazole (PubChem CID 19006844) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 7-methoxy-1,2-benzoxazole.

Molecular Properties

Compound Name7-methoxy-1,2-benzoxazole
PubChem CID19006844
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name7-methoxy-1,2-benzoxazole
SMILESCOc1cccc2cnoc12
InChIInChI=1S/C8H7NO2/c1-10-7-4-2-3-6-5-9-11-8(6)7/h2-5H,1H3
InChIKeyAUZSBHTXASPACC-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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Related Compounds

1,2-Benzoxazol-7-ol
CID 21469959
4-(7-Methoxy-1,2-benzoxazol-4-yl)aniline
CID 49830968
4-(3,4,5-Trimethoxyphenyl)-1,2-benzoxazole
CID 170556515
4-Iodo-7-(trifluoromethoxy)-1,2-benzoxazol-3-amine
CID 135083815
5-Methoxy-1,2-benzoxazole
CID 19020726
4-Iodo-7-methoxy-1,2-benzoxazol-3-amine
CID 24808321
7-Methoxybenzo[d]isoxazol-3-amine
CID 86249800
6-Fluoro-7-methoxy-3-methyl-1,2-benzoxazole
CID 58817535
7-Ethoxy-6-fluoro-3-methyl-1,2-benzoxazole
CID 89233579
3-(3,4-Difluorophenyl)-7-methoxy-1,2-benzoxazole
CID 172168167
7-Fluorosulfonyloxy-1,2-benzoxazole
CID 176259761
4-Methyl-1,2-benzisoxazole
CID 583714

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2-benzoxazole?
The IUPAC name of 7-methoxy-1,2-benzoxazole (CID 19006844) is 7-methoxy-1,2-benzoxazole.
What is the SMILES notation for 7-methoxy-1,2-benzoxazole?
The canonical SMILES for 7-methoxy-1,2-benzoxazole is COc1cccc2cnoc12.
What is the InChIKey of 7-methoxy-1,2-benzoxazole?
The InChIKey is AUZSBHTXASPACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-10-7-4-2-3-6-5-9-11-8(6)7/h2-5H,1H3.
What are the key properties of 7-methoxy-1,2-benzoxazole?
7-methoxy-1,2-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 7-methoxy-1,2-benzoxazole is sourced from PubChem (CID 19006844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).