2-(2-cyclohexyl-5-propyl-1,3-oxazol-4-yl)acetic acid

C14H21NO3 — CID 13282962

IUPAC2-(2-cyclohexyl-5-propyl-1,3-oxazol-4-yl)acetic acid
SMILESCCCc1oc(C2CCCCC2)nc1CC(=O)O
InChIInChI=1S/C14H21NO3/c1-2-6-12-11(9-13(16)17)15-14(18-12)10-7-4-3-5-8-10/h10H,2-9H2,1H3,(H,16,17)
InChIKeyXRWMYFZNIHLNJS-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.30
Rot. Bonds5

About 2-(2-cyclohexyl-5-propyl-1,3-oxazol-4-yl)acetic acid

2-(2-cyclohexyl-5-propyl-1,3-oxazol-4-yl)acetic acid (PubChem CID 13282962) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-cyclohexyl-5-propyl-1,3-oxazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclohexyl-5-propyl-1,3-oxazol-4-yl)acetic acid
PubChem CID13282962
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(2-cyclohexyl-5-propyl-1,3-oxazol-4-yl)acetic acid
SMILESCCCc1oc(C2CCCCC2)nc1CC(=O)O
InChIInChI=1S/C14H21NO3/c1-2-6-12-11(9-13(16)17)15-14(18-12)10-7-4-3-5-8-10/h10H,2-9H2,1H3,(H,16,17)
InChIKeyXRWMYFZNIHLNJS-UHFFFAOYSA-N
XLogP3.30
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-5-propyl-1,3-oxazol-4-yl)acetic acid?
The IUPAC name of 2-(2-cyclohexyl-5-propyl-1,3-oxazol-4-yl)acetic acid (CID 13282962) is 2-(2-cyclohexyl-5-propyl-1,3-oxazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclohexyl-5-propyl-1,3-oxazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-cyclohexyl-5-propyl-1,3-oxazol-4-yl)acetic acid is CCCc1oc(C2CCCCC2)nc1CC(=O)O.
What is the InChIKey of 2-(2-cyclohexyl-5-propyl-1,3-oxazol-4-yl)acetic acid?
The InChIKey is XRWMYFZNIHLNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-6-12-11(9-13(16)17)15-14(18-12)10-7-4-3-5-8-10/h10H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-(2-cyclohexyl-5-propyl-1,3-oxazol-4-yl)acetic acid?
2-(2-cyclohexyl-5-propyl-1,3-oxazol-4-yl)acetic acid has a molecular weight of 251.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-5-propyl-1,3-oxazol-4-yl)acetic acid is sourced from PubChem (CID 13282962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).