3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid

C13H19NO3 — CID 115042041

IUPAC3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid
SMILESO=C(O)CCc1ncc(C2CCCCCC2)o1
InChIInChI=1S/C13H19NO3/c15-13(16)8-7-12-14-9-11(17-12)10-5-3-1-2-4-6-10/h9-10H,1-8H2,(H,15,16)
InChIKeyLEFDQYZHDYAFPA-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.13
Rot. Bonds4

About 3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid

3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid (PubChem CID 115042041) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid
PubChem CID115042041
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid
SMILESO=C(O)CCc1ncc(C2CCCCCC2)o1
InChIInChI=1S/C13H19NO3/c15-13(16)8-7-12-14-9-11(17-12)10-5-3-1-2-4-6-10/h9-10H,1-8H2,(H,15,16)
InChIKeyLEFDQYZHDYAFPA-UHFFFAOYSA-N
XLogP3.13
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid?
The IUPAC name of 3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid (CID 115042041) is 3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid?
The canonical SMILES for 3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid is O=C(O)CCc1ncc(C2CCCCCC2)o1.
What is the InChIKey of 3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid?
The InChIKey is LEFDQYZHDYAFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-13(16)8-7-12-14-9-11(17-12)10-5-3-1-2-4-6-10/h9-10H,1-8H2,(H,15,16).
What are the key properties of 3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid?
3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid is sourced from PubChem (CID 115042041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).