3-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid

C12H19NO3 — CID 115060964

IUPAC3-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
SMILESO=C(O)CCC1COC(C2CCCCC2)=N1
InChIInChI=1S/C12H19NO3/c14-11(15)7-6-10-8-16-12(13-10)9-4-2-1-3-5-9/h9-10H,1-8H2,(H,14,15)
InChIKeyQKUDBOLIQYEWPK-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.23
Rot. Bonds4

About 3-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid

3-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid (PubChem CID 115060964) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
PubChem CID115060964
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
SMILESO=C(O)CCC1COC(C2CCCCC2)=N1
InChIInChI=1S/C12H19NO3/c14-11(15)7-6-10-8-16-12(13-10)9-4-2-1-3-5-9/h9-10H,1-8H2,(H,14,15)
InChIKeyQKUDBOLIQYEWPK-UHFFFAOYSA-N
XLogP2.23
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
The IUPAC name of 3-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid (CID 115060964) is 3-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
The canonical SMILES for 3-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid is O=C(O)CCC1COC(C2CCCCC2)=N1.
What is the InChIKey of 3-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
The InChIKey is QKUDBOLIQYEWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(15)7-6-10-8-16-12(13-10)9-4-2-1-3-5-9/h9-10H,1-8H2,(H,14,15).
What are the key properties of 3-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
3-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid has a molecular weight of 225.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid is sourced from PubChem (CID 115060964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).