methyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate

C19H19ClFN3O5 — CID 122672310

IUPACmethyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1ocnc1C(=O)NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C19H19ClFN3O5/c1-28-19(27)16-15(22-9-29-16)18(26)23-12-5-2-10(3-6-12)17(25)24-14-7-4-11(21)8-13(14)20/h4,7-10,12H,2-3,5-6H2,1H3,(H,23,26)(H,24,25)
InChIKeyFPEGZRTXVXBZBL-UHFFFAOYSA-N
MW423.83 g/mol
LogP3.18
Rot. Bonds5

About methyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate

methyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate (PubChem CID 122672310) has the molecular formula C19H19ClFN3O5 and a molecular weight of 423.83 g/mol. Its IUPAC name is methyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate
PubChem CID122672310
Molecular FormulaC19H19ClFN3O5
Molecular Weight423.83 g/mol
Exact Mass423.10
IUPAC Namemethyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1ocnc1C(=O)NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C19H19ClFN3O5/c1-28-19(27)16-15(22-9-29-16)18(26)23-12-5-2-10(3-6-12)17(25)24-14-7-4-11(21)8-13(14)20/h4,7-10,12H,2-3,5-6H2,1H3,(H,23,26)(H,24,25)
InChIKeyFPEGZRTXVXBZBL-UHFFFAOYSA-N
XLogP3.18
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.83
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate with MolForge

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Related Compounds

4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 122679352
4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide
CID 134556662
N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide
CID 134497831
N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122672769
4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 122672313
N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 73440583
N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150615
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide
CID 54920451
4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 122672567
5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide
CID 122672490
methyl N-(2-chloro-4-fluorophenyl)carbamate
CID 115579852
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate (CID 122672310) is methyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate is COC(=O)c1ocnc1C(=O)NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1.
What is the InChIKey of methyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate?
The InChIKey is FPEGZRTXVXBZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O5/c1-28-19(27)16-15(22-9-29-16)18(26)23-12-5-2-10(3-6-12)17(25)24-14-7-4-11(21)8-13(14)20/h4,7-10,12H,2-3,5-6H2,1H3,(H,23,26)(H,24,25).
What are the key properties of methyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate?
methyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate has a molecular weight of 423.83 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 122672310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).