ethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate

C13H20N2O4 — CID 102634249

IUPACethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(OC2CCCCC2NC)n1
InChIInChI=1S/C13H20N2O4/c1-3-17-12(16)10-8-18-13(15-10)19-11-7-5-4-6-9(11)14-2/h8-9,11,14H,3-7H2,1-2H3
InChIKeyKXOBBWWQRPNGGX-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.76
Rot. Bonds5

About ethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate

ethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate (PubChem CID 102634249) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate
PubChem CID102634249
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(OC2CCCCC2NC)n1
InChIInChI=1S/C13H20N2O4/c1-3-17-12(16)10-8-18-13(15-10)19-11-7-5-4-6-9(11)14-2/h8-9,11,14H,3-7H2,1-2H3
InChIKeyKXOBBWWQRPNGGX-UHFFFAOYSA-N
XLogP1.76
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate
CID 113395505
ethyl 2-[[(1S,2S)-2-hydroxycyclooctyl]amino]-1,3-oxazole-4-carboxylate
CID 146044572
ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate
CID 103401572
ethyl 2-[(2,3-dimethylcyclopentyl)amino]-1,3-oxazole-4-carboxylate
CID 113377315
ethyl 2-[3-(methylcarbamoyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
CID 104530088
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
CID 114008821
ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate
CID 113377055
4,6-dimethyl-2-[2-(methylamino)cyclohexyl]oxypyridine-3-carboxamide
CID 102634327
ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate
CID 106485684
methyl 6-[2-(methylamino)cyclohexyl]oxypyridazine-3-carboxylate
CID 102634676
ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate
CID 113377250
ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate
CID 113377425

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate (CID 102634249) is ethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(OC2CCCCC2NC)n1.
What is the InChIKey of ethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate?
The InChIKey is KXOBBWWQRPNGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-17-12(16)10-8-18-13(15-10)19-11-7-5-4-6-9(11)14-2/h8-9,11,14H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate?
ethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 102634249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).