(2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate

C19H14Cl3FN2O3 — CID 25204534

IUPAC(2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1N(C)C(=O)OCc1c(F)cccc1Cl
InChIInChI=1S/C19H14Cl3FN2O3/c1-10-18(17(24-28-10)16-13(21)6-3-7-14(16)22)25(2)19(26)27-9-11-12(20)5-4-8-15(11)23/h3-8H,9H2,1-2H3
InChIKeyWYDJTQKFXIRJPP-UHFFFAOYSA-N
MW443.69 g/mol
LogP6.52
Rot. Bonds4

About (2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate

(2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate (PubChem CID 25204534) has the molecular formula C19H14Cl3FN2O3 and a molecular weight of 443.69 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate
PubChem CID25204534
Molecular FormulaC19H14Cl3FN2O3
Molecular Weight443.69 g/mol
Exact Mass442.01
IUPAC Name(2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1N(C)C(=O)OCc1c(F)cccc1Cl
InChIInChI=1S/C19H14Cl3FN2O3/c1-10-18(17(24-28-10)16-13(21)6-3-7-14(16)22)25(2)19(26)27-9-11-12(20)5-4-8-15(11)23/h3-8H,9H2,1-2H3
InChIKeyWYDJTQKFXIRJPP-UHFFFAOYSA-N
XLogP6.52
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.69
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate (CID 25204534) is (2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate is Cc1onc(-c2c(Cl)cccc2Cl)c1N(C)C(=O)OCc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate?
The InChIKey is WYDJTQKFXIRJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3FN2O3/c1-10-18(17(24-28-10)16-13(21)6-3-7-14(16)22)25(2)19(26)27-9-11-12(20)5-4-8-15(11)23/h3-8H,9H2,1-2H3.
What are the key properties of (2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate?
(2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate has a molecular weight of 443.69 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate is sourced from PubChem (CID 25204534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).