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

C14H21NO3 — CID 66678056

IUPAC4-(5-tert-butyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1cnc(C2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C14H21NO3/c1-14(2,3)11-8-15-12(18-11)9-4-6-10(7-5-9)13(16)17/h8-10H,4-7H2,1-3H3,(H,16,17)
InChIKeyRRDFXSBGLMZHAK-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.33
Rot. Bonds2

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

4-(5-tert-butyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 66678056) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(5-tert-butyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-tert-butyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylic acid
PubChem CID66678056
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-(5-tert-butyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1cnc(C2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C14H21NO3/c1-14(2,3)11-8-15-12(18-11)9-4-6-10(7-5-9)13(16)17/h8-10H,4-7H2,1-3H3,(H,16,17)
InChIKeyRRDFXSBGLMZHAK-UHFFFAOYSA-N
XLogP3.33
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(5-tert-butyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylic acid (CID 66678056) is 4-(5-tert-butyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(5-tert-butyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(5-tert-butyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylic acid is CC(C)(C)c1cnc(C2CCC(C(=O)O)CC2)o1.
What is the InChIKey of 4-(5-tert-butyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is RRDFXSBGLMZHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)11-8-15-12(18-11)9-4-6-10(7-5-9)13(16)17/h8-10H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 4-(5-tert-butyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylic acid?
4-(5-tert-butyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66678056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).