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

C15H24N2O3 — CID 60809710

IUPAC4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1cnc(CNC2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)12-8-17-13(20-12)9-16-11-6-4-10(5-7-11)14(18)19/h8,10-11,16H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyHHSVUUOIDFKLSG-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.71
Rot. Bonds4

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

4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 60809710) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID60809710
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1cnc(CNC2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)12-8-17-13(20-12)9-16-11-6-4-10(5-7-11)14(18)19/h8,10-11,16H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyHHSVUUOIDFKLSG-UHFFFAOYSA-N
XLogP2.71
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid (CID 60809710) is 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid is CC(C)(C)c1cnc(CNC2CCC(C(=O)O)CC2)o1.
What is the InChIKey of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is HHSVUUOIDFKLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)12-8-17-13(20-12)9-16-11-6-4-10(5-7-11)14(18)19/h8,10-11,16H,4-7,9H2,1-3H3,(H,18,19).
What are the key properties of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid?
4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).