methyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate

C18H19Cl2N3O4 — CID 108783849

IUPACmethyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2c(Cl)cccc2Cl)noc1NC(=O)NC1CCCCC1
InChIInChI=1S/C18H19Cl2N3O4/c1-26-17(24)14-15(13-11(19)8-5-9-12(13)20)23-27-16(14)22-18(25)21-10-6-3-2-4-7-10/h5,8-10H,2-4,6-7H2,1H3,(H2,21,22,25)
InChIKeyVRVQYOYYTFVBNQ-UHFFFAOYSA-N
MW412.27 g/mol
LogP4.89
Rot. Bonds4

About methyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate

methyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate (PubChem CID 108783849) has the molecular formula C18H19Cl2N3O4 and a molecular weight of 412.27 g/mol. Its IUPAC name is methyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
PubChem CID108783849
Molecular FormulaC18H19Cl2N3O4
Molecular Weight412.27 g/mol
Exact Mass411.08
IUPAC Namemethyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2c(Cl)cccc2Cl)noc1NC(=O)NC1CCCCC1
InChIInChI=1S/C18H19Cl2N3O4/c1-26-17(24)14-15(13-11(19)8-5-9-12(13)20)23-27-16(14)22-18(25)21-10-6-3-2-4-7-10/h5,8-10H,2-4,6-7H2,1H3,(H2,21,22,25)
InChIKeyVRVQYOYYTFVBNQ-UHFFFAOYSA-N
XLogP4.89
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(cyclohexylcarbamothioylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
CID 108783852
methyl 3-(2,6-dichlorophenyl)-5-(ethylcarbamothioylamino)-1,2-oxazole-4-carboxylate
CID 108783853
methyl 3-(2,6-dichlorophenyl)-5-[(3-methoxycarbonylbenzoyl)amino]-1,2-oxazole-4-carboxylate
CID 108746352
dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate
CID 2726491
1-(3-chloro-2-methoxyphenyl)-3-cyclohexylurea
CID 5148075
methyl 3-(2,6-dichlorophenyl)-5-[4-(2,6-dimethylphenoxy)butanoylamino]-1,2-oxazole-4-carboxylate
CID 108768600
methyl 3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 22176607
methyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate
CID 108768562
methyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate
CID 108746329
1-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-cyclopentylthiourea
CID 9146997
methyl 3-(2,6-dichlorophenyl)-5-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,2-oxazole-4-carboxylate
CID 108768569
methyl 3-(2,6-dichlorophenyl)-5-[[3-(2-methylpropoxy)benzoyl]amino]-1,2-oxazole-4-carboxylate
CID 108746239

Frequently Asked Questions

What is the IUPAC name of methyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate (CID 108783849) is methyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate is COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1NC(=O)NC1CCCCC1.
What is the InChIKey of methyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate?
The InChIKey is VRVQYOYYTFVBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O4/c1-26-17(24)14-15(13-11(19)8-5-9-12(13)20)23-27-16(14)22-18(25)21-10-6-3-2-4-7-10/h5,8-10H,2-4,6-7H2,1H3,(H2,21,22,25).
What are the key properties of methyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate?
methyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate has a molecular weight of 412.27 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 108783849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).