6-propan-2-yloxy-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole

C14H16F3NO2 — CID 166044899

IUPAC6-propan-2-yloxy-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole
SMILESCCCc1c(OC(C)C)ccc2c(C(F)(F)F)noc12
InChIInChI=1S/C14H16F3NO2/c1-4-5-9-11(19-8(2)3)7-6-10-12(9)20-18-13(10)14(15,16)17/h6-8H,4-5H2,1-3H3
InChIKeyVZLSCWZZKMOKTP-UHFFFAOYSA-N
MW287.28 g/mol
LogP4.59
Rot. Bonds4

About 6-propan-2-yloxy-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole

6-propan-2-yloxy-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole (PubChem CID 166044899) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 6-propan-2-yloxy-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole.

Molecular Properties

Compound Name6-propan-2-yloxy-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole
PubChem CID166044899
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name6-propan-2-yloxy-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole
SMILESCCCc1c(OC(C)C)ccc2c(C(F)(F)F)noc12
InChIInChI=1S/C14H16F3NO2/c1-4-5-9-11(19-8(2)3)7-6-10-12(9)20-18-13(10)14(15,16)17/h6-8H,4-5H2,1-3H3
InChIKeyVZLSCWZZKMOKTP-UHFFFAOYSA-N
XLogP4.59
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole?
The IUPAC name of 6-propan-2-yloxy-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole (CID 166044899) is 6-propan-2-yloxy-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole.
What is the SMILES notation for 6-propan-2-yloxy-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole?
The canonical SMILES for 6-propan-2-yloxy-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole is CCCc1c(OC(C)C)ccc2c(C(F)(F)F)noc12.
What is the InChIKey of 6-propan-2-yloxy-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole?
The InChIKey is VZLSCWZZKMOKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-4-5-9-11(19-8(2)3)7-6-10-12(9)20-18-13(10)14(15,16)17/h6-8H,4-5H2,1-3H3.
What are the key properties of 6-propan-2-yloxy-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole?
6-propan-2-yloxy-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole has a molecular weight of 287.28 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole is sourced from PubChem (CID 166044899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).