ethyl 2-(1,3-oxazol-2-yl)-5-phenylhexanoate

C17H21NO3 — CID 69006801

IUPACethyl 2-(1,3-oxazol-2-yl)-5-phenylhexanoate
SMILESCCOC(=O)C(CCC(C)c1ccccc1)c1ncco1
InChIInChI=1S/C17H21NO3/c1-3-20-17(19)15(16-18-11-12-21-16)10-9-13(2)14-7-5-4-6-8-14/h4-8,11-13,15H,3,9-10H2,1-2H3
InChIKeyKMZXNKSRZBVHOQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.91
Rot. Bonds7

About ethyl 2-(1,3-oxazol-2-yl)-5-phenylhexanoate

ethyl 2-(1,3-oxazol-2-yl)-5-phenylhexanoate (PubChem CID 69006801) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 2-(1,3-oxazol-2-yl)-5-phenylhexanoate.

Molecular Properties

Compound Nameethyl 2-(1,3-oxazol-2-yl)-5-phenylhexanoate
PubChem CID69006801
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Nameethyl 2-(1,3-oxazol-2-yl)-5-phenylhexanoate
SMILESCCOC(=O)C(CCC(C)c1ccccc1)c1ncco1
InChIInChI=1S/C17H21NO3/c1-3-20-17(19)15(16-18-11-12-21-16)10-9-13(2)14-7-5-4-6-8-14/h4-8,11-13,15H,3,9-10H2,1-2H3
InChIKeyKMZXNKSRZBVHOQ-UHFFFAOYSA-N
XLogP3.91
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-oxazol-2-yl)-5-phenylhexanoate?
The IUPAC name of ethyl 2-(1,3-oxazol-2-yl)-5-phenylhexanoate (CID 69006801) is ethyl 2-(1,3-oxazol-2-yl)-5-phenylhexanoate.
What is the SMILES notation for ethyl 2-(1,3-oxazol-2-yl)-5-phenylhexanoate?
The canonical SMILES for ethyl 2-(1,3-oxazol-2-yl)-5-phenylhexanoate is CCOC(=O)C(CCC(C)c1ccccc1)c1ncco1.
What is the InChIKey of ethyl 2-(1,3-oxazol-2-yl)-5-phenylhexanoate?
The InChIKey is KMZXNKSRZBVHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-20-17(19)15(16-18-11-12-21-16)10-9-13(2)14-7-5-4-6-8-14/h4-8,11-13,15H,3,9-10H2,1-2H3.
What are the key properties of ethyl 2-(1,3-oxazol-2-yl)-5-phenylhexanoate?
ethyl 2-(1,3-oxazol-2-yl)-5-phenylhexanoate has a molecular weight of 287.36 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-oxazol-2-yl)-5-phenylhexanoate is sourced from PubChem (CID 69006801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).