[2-(N-cyclohexylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C20H24N2O4 — CID 7548444

IUPAC[2-(N-cyclohexylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H24N2O4/c1-14-19(15(2)26-21-14)20(24)25-13-18(23)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3
InChIKeyWTMZHPXBNNGZBG-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.81
Rot. Bonds5

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

[2-(N-cyclohexylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 7548444) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is [2-(N-cyclohexylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(N-cyclohexylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID7548444
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name[2-(N-cyclohexylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H24N2O4/c1-14-19(15(2)26-21-14)20(24)25-13-18(23)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3
InChIKeyWTMZHPXBNNGZBG-UHFFFAOYSA-N
XLogP3.81
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 7548444) is [2-(N-cyclohexylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(N-cyclohexylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(N-cyclohexylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC(=O)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of [2-(N-cyclohexylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is WTMZHPXBNNGZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-19(15(2)26-21-14)20(24)25-13-18(23)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3.
What are the key properties of [2-(N-cyclohexylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(N-cyclohexylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-cyclohexylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7548444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).