[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

C15H19N3O4 — CID 7737764

IUPAC[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)on1
InChIInChI=1S/C15H19N3O4/c1-11-8-12(22-17-11)14(20)21-9-13(19)18(2)15(10-16)6-4-3-5-7-15/h8H,3-7,9H2,1-2H3
InChIKeyJHUMXJKLJNKFDN-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.82
Rot. Bonds4

About [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 7737764) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID7737764
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)on1
InChIInChI=1S/C15H19N3O4/c1-11-8-12(22-17-11)14(20)21-9-13(19)18(2)15(10-16)6-4-3-5-7-15/h8H,3-7,9H2,1-2H3
InChIKeyJHUMXJKLJNKFDN-UHFFFAOYSA-N
XLogP1.82
TPSA96.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-Methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone
CID 99839893
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone
CID 138017232
[2-(1-Adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737576
[2-(Cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737605
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737674
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737675
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737676
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737677
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737688
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737689
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737713
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737714

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (CID 7737764) is [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)on1.
What is the InChIKey of [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is JHUMXJKLJNKFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-11-8-12(22-17-11)14(20)21-9-13(19)18(2)15(10-16)6-4-3-5-7-15/h8H,3-7,9H2,1-2H3.
What are the key properties of [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 7737764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).