2-(5-bromo-2-tert-butyl-1,3-oxazol-4-yl)-5-fluorocyclohexane-1-carboxylic acid

C14H19BrFNO3 — CID 118008960

IUPAC2-(5-bromo-2-tert-butyl-1,3-oxazol-4-yl)-5-fluorocyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1nc(C2CCC(F)CC2C(=O)O)c(Br)o1
InChIInChI=1S/C14H19BrFNO3/c1-14(2,3)13-17-10(11(15)20-13)8-5-4-7(16)6-9(8)12(18)19/h7-9H,4-6H2,1-3H3,(H,18,19)
InChIKeyUGFYCDUAWGFYRJ-UHFFFAOYSA-N
MW348.21 g/mol
LogP4.04
Rot. Bonds2

About 2-(5-bromo-2-tert-butyl-1,3-oxazol-4-yl)-5-fluorocyclohexane-1-carboxylic acid

2-(5-bromo-2-tert-butyl-1,3-oxazol-4-yl)-5-fluorocyclohexane-1-carboxylic acid (PubChem CID 118008960) has the molecular formula C14H19BrFNO3 and a molecular weight of 348.21 g/mol. Its IUPAC name is 2-(5-bromo-2-tert-butyl-1,3-oxazol-4-yl)-5-fluorocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromo-2-tert-butyl-1,3-oxazol-4-yl)-5-fluorocyclohexane-1-carboxylic acid
PubChem CID118008960
Molecular FormulaC14H19BrFNO3
Molecular Weight348.21 g/mol
Exact Mass347.05
IUPAC Name2-(5-bromo-2-tert-butyl-1,3-oxazol-4-yl)-5-fluorocyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1nc(C2CCC(F)CC2C(=O)O)c(Br)o1
InChIInChI=1S/C14H19BrFNO3/c1-14(2,3)13-17-10(11(15)20-13)8-5-4-7(16)6-9(8)12(18)19/h7-9H,4-6H2,1-3H3,(H,18,19)
InChIKeyUGFYCDUAWGFYRJ-UHFFFAOYSA-N
XLogP4.04
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-tert-butyl-1,3-oxazol-4-yl)-5-fluorocyclohexane-1-carboxylic acid?
The IUPAC name of 2-(5-bromo-2-tert-butyl-1,3-oxazol-4-yl)-5-fluorocyclohexane-1-carboxylic acid (CID 118008960) is 2-(5-bromo-2-tert-butyl-1,3-oxazol-4-yl)-5-fluorocyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(5-bromo-2-tert-butyl-1,3-oxazol-4-yl)-5-fluorocyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(5-bromo-2-tert-butyl-1,3-oxazol-4-yl)-5-fluorocyclohexane-1-carboxylic acid is CC(C)(C)c1nc(C2CCC(F)CC2C(=O)O)c(Br)o1.
What is the InChIKey of 2-(5-bromo-2-tert-butyl-1,3-oxazol-4-yl)-5-fluorocyclohexane-1-carboxylic acid?
The InChIKey is UGFYCDUAWGFYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO3/c1-14(2,3)13-17-10(11(15)20-13)8-5-4-7(16)6-9(8)12(18)19/h7-9H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 2-(5-bromo-2-tert-butyl-1,3-oxazol-4-yl)-5-fluorocyclohexane-1-carboxylic acid?
2-(5-bromo-2-tert-butyl-1,3-oxazol-4-yl)-5-fluorocyclohexane-1-carboxylic acid has a molecular weight of 348.21 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-tert-butyl-1,3-oxazol-4-yl)-5-fluorocyclohexane-1-carboxylic acid is sourced from PubChem (CID 118008960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).