2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid

C16H19NO3 — CID 114373150

IUPAC2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid
SMILESCCCc1nc(CCCc2ccccc2)oc1C(=O)O
InChIInChI=1S/C16H19NO3/c1-2-7-13-15(16(18)19)20-14(17-13)11-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,18,19)
InChIKeyKDNOBMSGLHEATB-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.50
Rot. Bonds7

About 2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid

2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid (PubChem CID 114373150) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid
PubChem CID114373150
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid
SMILESCCCc1nc(CCCc2ccccc2)oc1C(=O)O
InChIInChI=1S/C16H19NO3/c1-2-7-13-15(16(18)19)20-14(17-13)11-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,18,19)
InChIKeyKDNOBMSGLHEATB-UHFFFAOYSA-N
XLogP3.50
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid (CID 114373150) is 2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid is CCCc1nc(CCCc2ccccc2)oc1C(=O)O.
What is the InChIKey of 2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is KDNOBMSGLHEATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-7-13-15(16(18)19)20-14(17-13)11-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114373150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).