1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N,N-diethylcyclohexane-1-carboxamide

C19H31N3O3 — CID 51090731

IUPAC1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N,N-diethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)CCc2c(C)noc2C)CCCCC1
InChIInChI=1S/C19H31N3O3/c1-5-22(6-2)18(24)19(12-8-7-9-13-19)20-17(23)11-10-16-14(3)21-25-15(16)4/h5-13H2,1-4H3,(H,20,23)
InChIKeyROOXBIJGGUPXBI-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.91
Rot. Bonds7

About 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N,N-diethylcyclohexane-1-carboxamide

1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N,N-diethylcyclohexane-1-carboxamide (PubChem CID 51090731) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N,N-diethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N,N-diethylcyclohexane-1-carboxamide
PubChem CID51090731
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N,N-diethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)CCc2c(C)noc2C)CCCCC1
InChIInChI=1S/C19H31N3O3/c1-5-22(6-2)18(24)19(12-8-7-9-13-19)20-17(23)11-10-16-14(3)21-25-15(16)4/h5-13H2,1-4H3,(H,20,23)
InChIKeyROOXBIJGGUPXBI-UHFFFAOYSA-N
XLogP2.91
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N,N-diethylcyclohexane-1-carboxamide?
The IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N,N-diethylcyclohexane-1-carboxamide (CID 51090731) is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N,N-diethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N,N-diethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N,N-diethylcyclohexane-1-carboxamide is CCN(CC)C(=O)C1(NC(=O)CCc2c(C)noc2C)CCCCC1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N,N-diethylcyclohexane-1-carboxamide?
The InChIKey is ROOXBIJGGUPXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-5-22(6-2)18(24)19(12-8-7-9-13-19)20-17(23)11-10-16-14(3)21-25-15(16)4/h5-13H2,1-4H3,(H,20,23).
What are the key properties of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N,N-diethylcyclohexane-1-carboxamide?
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N,N-diethylcyclohexane-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N,N-diethylcyclohexane-1-carboxamide is sourced from PubChem (CID 51090731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).