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

C16H14Cl2N4O3 — CID 25204532

IUPAC(3-methylimidazol-4-yl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1cncn1C
InChIInChI=1S/C16H14Cl2N4O3/c1-9-14(20-16(23)24-7-10-6-19-8-22(10)2)15(21-25-9)13-11(17)4-3-5-12(13)18/h3-6,8H,7H2,1-2H3,(H,20,23)
InChIKeyLSKXTENDSNLCBM-UHFFFAOYSA-N
MW381.22 g/mol
LogP4.44
Rot. Bonds4

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

(3-methylimidazol-4-yl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate (PubChem CID 25204532) has the molecular formula C16H14Cl2N4O3 and a molecular weight of 381.22 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
PubChem CID25204532
Molecular FormulaC16H14Cl2N4O3
Molecular Weight381.22 g/mol
Exact Mass380.04
IUPAC Name(3-methylimidazol-4-yl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1cncn1C
InChIInChI=1S/C16H14Cl2N4O3/c1-9-14(20-16(23)24-7-10-6-19-8-22(10)2)15(21-25-9)13-11(17)4-3-5-12(13)18/h3-6,8H,7H2,1-2H3,(H,20,23)
InChIKeyLSKXTENDSNLCBM-UHFFFAOYSA-N
XLogP4.44
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[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
2-(2,4-dichlorophenoxy)ethyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 2743196
3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,1-dimethylurea
CID 2743036
(benzylideneamino) N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 2726320
[(2,3,4,5,6-pentamethylphenyl)methylideneamino] N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 2804481
1-(2-chloro-6-fluoroanilino)-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]urea
CID 2743061
3-(2,6-dichlorophenyl)-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-4-carboxamide
CID 5070431
[[amino-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylidene]amino] 2-chloroacetate
CID 2781697
1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea
CID 2743041
3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-(4-methylphenyl)-1-[(R)-methylsulfinyl]urea
CID 40781130
N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide
CID 5092510
N-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamoyl]adamantane-1-carboxamide
CID 2805264

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
The IUPAC name of (3-methylimidazol-4-yl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate (CID 25204532) is (3-methylimidazol-4-yl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate.
What is the SMILES notation for (3-methylimidazol-4-yl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
The canonical SMILES for (3-methylimidazol-4-yl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate is Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1cncn1C.
What is the InChIKey of (3-methylimidazol-4-yl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
The InChIKey is LSKXTENDSNLCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O3/c1-9-14(20-16(23)24-7-10-6-19-8-22(10)2)15(21-25-9)13-11(17)4-3-5-12(13)18/h3-6,8H,7H2,1-2H3,(H,20,23).
What are the key properties of (3-methylimidazol-4-yl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
(3-methylimidazol-4-yl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate has a molecular weight of 381.22 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate is sourced from PubChem (CID 25204532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).