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

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Related Compounds

2-(4-butylcyclohexyl)-5-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]-1,3-oxazole-4-carbonitrile
CID 52904690
2-(4-butylcyclohexyl)-5-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 45142638
2-(4-butylcyclohexyl)-5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 34925029
1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone
CID 109005936
N-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide
CID 116656850
2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 93300981
tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane
CID 142306619
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 95969531
2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile
CID 114290889
1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 109006548
2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006563

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).