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

C19H14Cl4N2O4 — CID 2743196

IUPAC2-(2,4-dichlorophenoxy)ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl4N2O4/c1-10-17(18(25-29-10)16-12(21)3-2-4-13(16)22)24-19(26)28-8-7-27-15-6-5-11(20)9-14(15)23/h2-6,9H,7-8H2,1H3,(H,24,26)
InChIKeyBTYQSQZYPFCQIN-UHFFFAOYSA-N
MW476.14 g/mol
LogP6.89
Rot. Bonds6

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

2-(2,4-dichlorophenoxy)ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate (PubChem CID 2743196) has the molecular formula C19H14Cl4N2O4 and a molecular weight of 476.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
PubChem CID2743196
Molecular FormulaC19H14Cl4N2O4
Molecular Weight476.14 g/mol
Exact Mass473.97
IUPAC Name2-(2,4-dichlorophenoxy)ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl4N2O4/c1-10-17(18(25-29-10)16-12(21)3-2-4-13(16)22)24-19(26)28-8-7-27-15-6-5-11(20)9-14(15)23/h2-6,9H,7-8H2,1H3,(H,24,26)
InChIKeyBTYQSQZYPFCQIN-UHFFFAOYSA-N
XLogP6.89
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.14
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-methylimidazol-4-yl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 25204532
[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 2805244
3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,1-dimethylurea
CID 2743036
[(2,3,4,5,6-pentamethylphenyl)methylideneamino] N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 2804481
(benzylideneamino) N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 2726320
2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate
CID 2244784
1-(2-chloro-6-fluoroanilino)-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]urea
CID 2743061
2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate
CID 5095007
2-(2,4-dichlorophenoxy)ethyl 3-(carbamoylamino)benzoate
CID 8803795
1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108881118
2-(2-chlorophenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614294
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl N-(2,6-dichlorophenyl)carbamate
CID 6062530

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
The IUPAC name of 2-(2,4-dichlorophenoxy)ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate (CID 2743196) is 2-(2,4-dichlorophenoxy)ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
The canonical SMILES for 2-(2,4-dichlorophenoxy)ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate is Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
The InChIKey is BTYQSQZYPFCQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl4N2O4/c1-10-17(18(25-29-10)16-12(21)3-2-4-13(16)22)24-19(26)28-8-7-27-15-6-5-11(20)9-14(15)23/h2-6,9H,7-8H2,1H3,(H,24,26).
What are the key properties of 2-(2,4-dichlorophenoxy)ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
2-(2,4-dichlorophenoxy)ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate has a molecular weight of 476.14 g/mol, XLogP of 6.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate is sourced from PubChem (CID 2743196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).