ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate

C13H18N2O4 — CID 113377055

IUPACethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N(C)C2CCC(=O)CC2)n1
InChIInChI=1S/C13H18N2O4/c1-3-18-12(17)11-8-19-13(14-11)15(2)9-4-6-10(16)7-5-9/h8-9H,3-7H2,1-2H3
InChIKeyRBNFTIAAWNKMQQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.80
Rot. Bonds4

About ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate

ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate (PubChem CID 113377055) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate
PubChem CID113377055
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N(C)C2CCC(=O)CC2)n1
InChIInChI=1S/C13H18N2O4/c1-3-18-12(17)11-8-19-13(14-11)15(2)9-4-6-10(16)7-5-9/h8-9H,3-7H2,1-2H3
InChIKeyRBNFTIAAWNKMQQ-UHFFFAOYSA-N
XLogP1.80
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate
CID 113377425
ethyl 2-[ethyl(2-ethylbutyl)amino]-1,3-oxazole-4-carboxylate
CID 113377169
ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate
CID 113377250
ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate
CID 113377205
ethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate
CID 113377294
ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate
CID 113395505
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate
CID 167466268
ethyl 1-(4-oxocyclohexyl)pyrazole-3-carboxylate
CID 134414493
ethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate
CID 102634249
ethyl 2-methylsulfonyl-1,3-oxazole-4-carboxylate
CID 151928550
ethyl 2-[[(1S,2S)-2-hydroxycyclooctyl]amino]-1,3-oxazole-4-carboxylate
CID 146044572
ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate
CID 104828592

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate (CID 113377055) is ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N(C)C2CCC(=O)CC2)n1.
What is the InChIKey of ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate?
The InChIKey is RBNFTIAAWNKMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-18-12(17)11-8-19-13(14-11)15(2)9-4-6-10(16)7-5-9/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate?
ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113377055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).