[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate

C17H10Cl2FNO3 — CID 16869694

IUPAC[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate
SMILESO=C(OCc1cc(-c2ccc(F)cc2)on1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl2FNO3/c18-11-3-6-14(15(19)7-11)17(22)23-9-13-8-16(24-21-13)10-1-4-12(20)5-2-10/h1-8H,9H2
InChIKeyMVWGNJMQPNBGAV-UHFFFAOYSA-N
MW366.18 g/mol
LogP5.14
Rot. Bonds4

About [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate

[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate (PubChem CID 16869694) has the molecular formula C17H10Cl2FNO3 and a molecular weight of 366.18 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate
PubChem CID16869694
Molecular FormulaC17H10Cl2FNO3
Molecular Weight366.18 g/mol
Exact Mass365.00
IUPAC Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate
SMILESO=C(OCc1cc(-c2ccc(F)cc2)on1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl2FNO3/c18-11-3-6-14(15(19)7-11)17(22)23-9-13-8-16(24-21-13)10-1-4-12(20)5-2-10/h1-8H,9H2
InChIKeyMVWGNJMQPNBGAV-UHFFFAOYSA-N
XLogP5.14
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.18
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate
CID 16869687
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2,5-dichlorobenzoate
CID 16869450
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)acetate
CID 16869611
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869440
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate
CID 16869565
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate
CID 8664153
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869944
(5-phenyl-1,2-oxazol-3-yl)methyl 2-bromo-5-fluorobenzoate
CID 8987480
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869448
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-4-fluorobenzoate
CID 8520210
(5-phenyl-1,2-oxazol-3-yl)methyl 5-chloro-2-nitrobenzoate
CID 9286228
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate
CID 16869669

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate?
The IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate (CID 16869694) is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate?
The canonical SMILES for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate is O=C(OCc1cc(-c2ccc(F)cc2)on1)c1ccc(Cl)cc1Cl.
What is the InChIKey of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate?
The InChIKey is MVWGNJMQPNBGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2FNO3/c18-11-3-6-14(15(19)7-11)17(22)23-9-13-8-16(24-21-13)10-1-4-12(20)5-2-10/h1-8H,9H2.
What are the key properties of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate?
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate has a molecular weight of 366.18 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate is sourced from PubChem (CID 16869694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).