ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate

C23H24ClNO3 — CID 69007578

IUPACethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate
SMILESCCOC(=O)CCCCCc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C23H24ClNO3/c1-2-27-21(26)12-8-4-7-11-20-25-22(17-9-5-3-6-10-17)23(28-20)18-13-15-19(24)16-14-18/h3,5-6,9-10,13-16H,2,4,7-8,11-12H2,1H3
InChIKeyXEBCIIGOJVPZJO-UHFFFAOYSA-N
MW397.90 g/mol
LogP6.33
Rot. Bonds9

About ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate

ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate (PubChem CID 69007578) has the molecular formula C23H24ClNO3 and a molecular weight of 397.90 g/mol. Its IUPAC name is ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate.

Molecular Properties

Compound Nameethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate
PubChem CID69007578
Molecular FormulaC23H24ClNO3
Molecular Weight397.90 g/mol
Exact Mass397.14
IUPAC Nameethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate
SMILESCCOC(=O)CCCCCc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C23H24ClNO3/c1-2-27-21(26)12-8-4-7-11-20-25-22(17-9-5-3-6-10-17)23(28-20)18-13-15-19(24)16-14-18/h3,5-6,9-10,13-16H,2,4,7-8,11-12H2,1H3
InChIKeyXEBCIIGOJVPZJO-UHFFFAOYSA-N
XLogP6.33
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.90
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate with MolForge

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Related Compounds

ethyl 3-[5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoate
CID 19698612
ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
CID 14971801
ethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate
CID 11099941
ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 11949253
N-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide
CID 11501784
2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate
CID 68798727
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
ethyl 7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanoate
CID 59926126
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
ethyl 6-(4,5-diphenyl-1,3-thiazol-2-yl)hexanoate
CID 69005381
7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid
CID 123292841
ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate
CID 58533133

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate?
The IUPAC name of ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate (CID 69007578) is ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate.
What is the SMILES notation for ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate?
The canonical SMILES for ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate is CCOC(=O)CCCCCc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)o1.
What is the InChIKey of ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate?
The InChIKey is XEBCIIGOJVPZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO3/c1-2-27-21(26)12-8-4-7-11-20-25-22(17-9-5-3-6-10-17)23(28-20)18-13-15-19(24)16-14-18/h3,5-6,9-10,13-16H,2,4,7-8,11-12H2,1H3.
What are the key properties of ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate?
ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate has a molecular weight of 397.90 g/mol, XLogP of 6.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate is sourced from PubChem (CID 69007578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).