(2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]carbamate

C19H15Cl3N2O4 — CID 25204536

IUPAC(2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]carbamate
SMILESCOCc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1ccccc1Cl
InChIInChI=1S/C19H15Cl3N2O4/c1-26-10-15-17(18(24-28-15)16-13(21)7-4-8-14(16)22)23-19(25)27-9-11-5-2-3-6-12(11)20/h2-8H,9-10H2,1H3,(H,23,25)
InChIKeyJOLDGUMJUYYBCM-UHFFFAOYSA-N
MW441.70 g/mol
LogP6.20
Rot. Bonds6

About (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]carbamate

(2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]carbamate (PubChem CID 25204536) has the molecular formula C19H15Cl3N2O4 and a molecular weight of 441.70 g/mol. Its IUPAC name is (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]carbamate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]carbamate
PubChem CID25204536
Molecular FormulaC19H15Cl3N2O4
Molecular Weight441.70 g/mol
Exact Mass440.01
IUPAC Name(2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]carbamate
SMILESCOCc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1ccccc1Cl
InChIInChI=1S/C19H15Cl3N2O4/c1-26-10-15-17(18(24-28-15)16-13(21)7-4-8-14(16)22)23-19(25)27-9-11-5-2-3-6-12(11)20/h2-8H,9-10H2,1H3,(H,23,25)
InChIKeyJOLDGUMJUYYBCM-UHFFFAOYSA-N
XLogP6.20
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.70
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(((4-(4-(((1-(2-Chlorophenyl)ethoxy)carbonyl)amino)-3-methyl-5-isoxazolyl)phenyl)methyl)thio)propanoic acid
CID 10367662
AM-966
CID 46240292
2-Chloro-6-fluorobenzyl (3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl)carbamate
CID 2804997
3-(4-(4-((1-(2-Chlorophenyl)ethoxy)carbonylamino)-3-methyl-5-isoxazolyl)benzylsulfanyl)propanoic acid methyl ester
CID 9913405
4-(4-(4-((1-(2-Chlorophenyl)ethoxy)carbonyl)isoxazol-3-yl)phenylamino)-4-oxobutanoic acid
CID 11167018
(2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-4-yl]carbamate
CID 25138309
(2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 25204469
(2,5-dichlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 25204470
[3-(dimethylamino)phenyl]methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 25204471
(2-chloro-6-fluorophenyl)methyl N-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 25204533
(2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylcarbamate
CID 25204534
2-Chloro-6-fluorobenzyl (3-(2,6-dimethylphenyl)-5-methylisoxazol-4-yl)carbamate
CID 25204604

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]carbamate?
The IUPAC name of (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]carbamate (CID 25204536) is (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]carbamate.
What is the SMILES notation for (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]carbamate?
The canonical SMILES for (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]carbamate is COCc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]carbamate?
The InChIKey is JOLDGUMJUYYBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2O4/c1-26-10-15-17(18(24-28-15)16-13(21)7-4-8-14(16)22)23-19(25)27-9-11-5-2-3-6-12(11)20/h2-8H,9-10H2,1H3,(H,23,25).
What are the key properties of (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]carbamate?
(2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]carbamate has a molecular weight of 441.70 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-(methoxymethyl)-1,2-oxazol-4-yl]carbamate is sourced from PubChem (CID 25204536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).