6-(cyclopropylmethoxy)-4-fluoro-2-methyl-1,3-benzoxazole

C12H12FNO2 — CID 118101249

IUPAC6-(cyclopropylmethoxy)-4-fluoro-2-methyl-1,3-benzoxazole
SMILESCc1nc2c(F)cc(OCC3CC3)cc2o1
InChIInChI=1S/C12H12FNO2/c1-7-14-12-10(13)4-9(5-11(12)16-7)15-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3
InChIKeyOOWQGPAVUHTXFX-UHFFFAOYSA-N
MW221.23 g/mol
LogP3.06
Rot. Bonds3

About 6-(cyclopropylmethoxy)-4-fluoro-2-methyl-1,3-benzoxazole

6-(cyclopropylmethoxy)-4-fluoro-2-methyl-1,3-benzoxazole (PubChem CID 118101249) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-4-fluoro-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-4-fluoro-2-methyl-1,3-benzoxazole
PubChem CID118101249
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name6-(cyclopropylmethoxy)-4-fluoro-2-methyl-1,3-benzoxazole
SMILESCc1nc2c(F)cc(OCC3CC3)cc2o1
InChIInChI=1S/C12H12FNO2/c1-7-14-12-10(13)4-9(5-11(12)16-7)15-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3
InChIKeyOOWQGPAVUHTXFX-UHFFFAOYSA-N
XLogP3.06
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-4-fluoro-2-methyl-1,3-benzoxazole?
The IUPAC name of 6-(cyclopropylmethoxy)-4-fluoro-2-methyl-1,3-benzoxazole (CID 118101249) is 6-(cyclopropylmethoxy)-4-fluoro-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 6-(cyclopropylmethoxy)-4-fluoro-2-methyl-1,3-benzoxazole?
The canonical SMILES for 6-(cyclopropylmethoxy)-4-fluoro-2-methyl-1,3-benzoxazole is Cc1nc2c(F)cc(OCC3CC3)cc2o1.
What is the InChIKey of 6-(cyclopropylmethoxy)-4-fluoro-2-methyl-1,3-benzoxazole?
The InChIKey is OOWQGPAVUHTXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-7-14-12-10(13)4-9(5-11(12)16-7)15-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 6-(cyclopropylmethoxy)-4-fluoro-2-methyl-1,3-benzoxazole?
6-(cyclopropylmethoxy)-4-fluoro-2-methyl-1,3-benzoxazole has a molecular weight of 221.23 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-4-fluoro-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 118101249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).