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

C18H13Cl3N2O3 — CID 25204469

IUPAC(2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1ccccc1Cl
InChIInChI=1S/C18H13Cl3N2O3/c1-10-16(17(23-26-10)15-13(20)7-4-8-14(15)21)22-18(24)25-9-11-5-2-3-6-12(11)19/h2-8H,9H2,1H3,(H,22,24)
InChIKeyHUDOROMBACNRCG-UHFFFAOYSA-N
MW411.67 g/mol
LogP6.36
Rot. Bonds4

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

(2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate (PubChem CID 25204469) has the molecular formula C18H13Cl3N2O3 and a molecular weight of 411.67 g/mol. Its IUPAC name is (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
PubChem CID25204469
Molecular FormulaC18H13Cl3N2O3
Molecular Weight411.67 g/mol
Exact Mass410.00
IUPAC Name(2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1ccccc1Cl
InChIInChI=1S/C18H13Cl3N2O3/c1-10-16(17(23-26-10)15-13(20)7-4-8-14(15)21)22-18(24)25-9-11-5-2-3-6-12(11)19/h2-8H,9H2,1H3,(H,22,24)
InChIKeyHUDOROMBACNRCG-UHFFFAOYSA-N
XLogP6.36
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.67
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
The IUPAC name of (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate (CID 25204469) is (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate.
What is the SMILES notation for (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
The canonical SMILES for (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate is Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
The InChIKey is HUDOROMBACNRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O3/c1-10-16(17(23-26-10)15-13(20)7-4-8-14(15)21)22-18(24)25-9-11-5-2-3-6-12(11)19/h2-8H,9H2,1H3,(H,22,24).
What are the key properties of (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
(2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate has a molecular weight of 411.67 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate is sourced from PubChem (CID 25204469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).