2-(4-butylcyclohexyl)-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile

C22H34N4O2 — CID 52904689

IUPAC2-(4-butylcyclohexyl)-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile
SMILESCCCCC1CCC(c2nc(C#N)c(NCC(=O)N3CCC[C@H](C)C3)o2)CC1
InChIInChI=1S/C22H34N4O2/c1-3-4-7-17-8-10-18(11-9-17)21-25-19(13-23)22(28-21)24-14-20(27)26-12-5-6-16(2)15-26/h16-18,24H,3-12,14-15H2,1-2H3/t16-,17?,18?/m0/s1
InChIKeyDYEIYXUTDVDLCW-AOCRQIFASA-N
MW386.54 g/mol
LogP4.68
Rot. Bonds7

About 2-(4-butylcyclohexyl)-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile

2-(4-butylcyclohexyl)-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile (PubChem CID 52904689) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-(4-butylcyclohexyl)-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-butylcyclohexyl)-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile
PubChem CID52904689
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name2-(4-butylcyclohexyl)-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile
SMILESCCCCC1CCC(c2nc(C#N)c(NCC(=O)N3CCC[C@H](C)C3)o2)CC1
InChIInChI=1S/C22H34N4O2/c1-3-4-7-17-8-10-18(11-9-17)21-25-19(13-23)22(28-21)24-14-20(27)26-12-5-6-16(2)15-26/h16-18,24H,3-12,14-15H2,1-2H3/t16-,17?,18?/m0/s1
InChIKeyDYEIYXUTDVDLCW-AOCRQIFASA-N
XLogP4.68
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-butylcyclohexyl)-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylcyclohexyl)-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-butylcyclohexyl)-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile (CID 52904689) is 2-(4-butylcyclohexyl)-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-butylcyclohexyl)-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-butylcyclohexyl)-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile is CCCCC1CCC(c2nc(C#N)c(NCC(=O)N3CCC[C@H](C)C3)o2)CC1.
What is the InChIKey of 2-(4-butylcyclohexyl)-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile?
The InChIKey is DYEIYXUTDVDLCW-AOCRQIFASA-N. The full InChI is InChI=1S/C22H34N4O2/c1-3-4-7-17-8-10-18(11-9-17)21-25-19(13-23)22(28-21)24-14-20(27)26-12-5-6-16(2)15-26/h16-18,24H,3-12,14-15H2,1-2H3/t16-,17?,18?/m0/s1.
What are the key properties of 2-(4-butylcyclohexyl)-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile?
2-(4-butylcyclohexyl)-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile has a molecular weight of 386.54 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylcyclohexyl)-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 52904689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).