5-fluoro-6-methyl-3-propan-2-yl-1,2-benzoxazole

C11H12FNO — CID 170000118

IUPAC5-fluoro-6-methyl-3-propan-2-yl-1,2-benzoxazole
SMILESCc1cc2onc(C(C)C)c2cc1F
InChIInChI=1S/C11H12FNO/c1-6(2)11-8-5-9(12)7(3)4-10(8)14-13-11/h4-6H,1-3H3
InChIKeySYIORYFWSNIYHE-UHFFFAOYSA-N
MW193.22 g/mol
LogP3.40
Rot. Bonds1

About 5-fluoro-6-methyl-3-propan-2-yl-1,2-benzoxazole

5-fluoro-6-methyl-3-propan-2-yl-1,2-benzoxazole (PubChem CID 170000118) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 5-fluoro-6-methyl-3-propan-2-yl-1,2-benzoxazole.

Molecular Properties

Compound Name5-fluoro-6-methyl-3-propan-2-yl-1,2-benzoxazole
PubChem CID170000118
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name5-fluoro-6-methyl-3-propan-2-yl-1,2-benzoxazole
SMILESCc1cc2onc(C(C)C)c2cc1F
InChIInChI=1S/C11H12FNO/c1-6(2)11-8-5-9(12)7(3)4-10(8)14-13-11/h4-6H,1-3H3
InChIKeySYIORYFWSNIYHE-UHFFFAOYSA-N
XLogP3.40
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-3-propan-2-yl-1,2-benzoxazole?
The IUPAC name of 5-fluoro-6-methyl-3-propan-2-yl-1,2-benzoxazole (CID 170000118) is 5-fluoro-6-methyl-3-propan-2-yl-1,2-benzoxazole.
What is the SMILES notation for 5-fluoro-6-methyl-3-propan-2-yl-1,2-benzoxazole?
The canonical SMILES for 5-fluoro-6-methyl-3-propan-2-yl-1,2-benzoxazole is Cc1cc2onc(C(C)C)c2cc1F.
What is the InChIKey of 5-fluoro-6-methyl-3-propan-2-yl-1,2-benzoxazole?
The InChIKey is SYIORYFWSNIYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-6(2)11-8-5-9(12)7(3)4-10(8)14-13-11/h4-6H,1-3H3.
What are the key properties of 5-fluoro-6-methyl-3-propan-2-yl-1,2-benzoxazole?
5-fluoro-6-methyl-3-propan-2-yl-1,2-benzoxazole has a molecular weight of 193.22 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-3-propan-2-yl-1,2-benzoxazole is sourced from PubChem (CID 170000118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).