5-fluoro-1-methyl-3H-2,1-benzoxazole

C8H8FNO — CID 175342122

IUPAC5-fluoro-1-methyl-3H-2,1-benzoxazole
SMILESCN1OCc2cc(F)ccc21
InChIInChI=1S/C8H8FNO/c1-10-8-3-2-7(9)4-6(8)5-11-10/h2-4H,5H2,1H3
InChIKeyPCQIZWQAIBBPMM-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.71
Rot. Bonds

About 5-fluoro-1-methyl-3H-2,1-benzoxazole

5-fluoro-1-methyl-3H-2,1-benzoxazole (PubChem CID 175342122) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3H-2,1-benzoxazole.

Molecular Properties

Compound Name5-fluoro-1-methyl-3H-2,1-benzoxazole
PubChem CID175342122
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name5-fluoro-1-methyl-3H-2,1-benzoxazole
SMILESCN1OCc2cc(F)ccc21
InChIInChI=1S/C8H8FNO/c1-10-8-3-2-7(9)4-6(8)5-11-10/h2-4H,5H2,1H3
InChIKeyPCQIZWQAIBBPMM-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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6-fluoro-1-methylsulfanyl-3,4-dihydro-2H-quinoline
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5-fluoro-1,3,3-trimethyl-2H-indole
CID 58386422
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
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7-fluoro-2-methyl-1H-isoquinoline
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3H-2,1-benzoxazole?
The IUPAC name of 5-fluoro-1-methyl-3H-2,1-benzoxazole (CID 175342122) is 5-fluoro-1-methyl-3H-2,1-benzoxazole.
What is the SMILES notation for 5-fluoro-1-methyl-3H-2,1-benzoxazole?
The canonical SMILES for 5-fluoro-1-methyl-3H-2,1-benzoxazole is CN1OCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-methyl-3H-2,1-benzoxazole?
The InChIKey is PCQIZWQAIBBPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c1-10-8-3-2-7(9)4-6(8)5-11-10/h2-4H,5H2,1H3.
What are the key properties of 5-fluoro-1-methyl-3H-2,1-benzoxazole?
5-fluoro-1-methyl-3H-2,1-benzoxazole has a molecular weight of 153.16 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3H-2,1-benzoxazole is sourced from PubChem (CID 175342122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).