[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C16H24N2O4 — CID 4034503

IUPAC[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C16H24N2O4/c1-9-6-5-7-13(10(9)2)17-14(19)8-21-16(20)15-11(3)18-22-12(15)4/h9-10,13H,5-8H2,1-4H3,(H,17,19)
InChIKeyRPYSNJBCFHVAEG-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.39
Rot. Bonds4

About [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 4034503) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID4034503
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C16H24N2O4/c1-9-6-5-7-13(10(9)2)17-14(19)8-21-16(20)15-11(3)18-22-12(15)4/h9-10,13H,5-8H2,1-4H3,(H,17,19)
InChIKeyRPYSNJBCFHVAEG-UHFFFAOYSA-N
XLogP2.39
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 4034503) is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC(=O)NC1CCCC(C)C1C.
What is the InChIKey of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is RPYSNJBCFHVAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-9-6-5-7-13(10(9)2)17-14(19)8-21-16(20)15-11(3)18-22-12(15)4/h9-10,13H,5-8H2,1-4H3,(H,17,19).
What are the key properties of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 4034503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).