5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile

C20H25ClN4O2 — CID 35181136

IUPAC5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
SMILESCC(C)Cc1nc(C#N)c(NC[C@H](c2ccccc2Cl)N2CCOCC2)o1
InChIInChI=1S/C20H25ClN4O2/c1-14(2)11-19-24-17(12-22)20(27-19)23-13-18(25-7-9-26-10-8-25)15-5-3-4-6-16(15)21/h3-6,14,18,23H,7-11,13H2,1-2H3/t18-/m1/s1
InChIKeyAYMVGKORAXGVLS-GOSISDBHSA-N
MW388.90 g/mol
LogP3.88
Rot. Bonds7

About 5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile

5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile (PubChem CID 35181136) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
PubChem CID35181136
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
SMILESCC(C)Cc1nc(C#N)c(NC[C@H](c2ccccc2Cl)N2CCOCC2)o1
InChIInChI=1S/C20H25ClN4O2/c1-14(2)11-19-24-17(12-22)20(27-19)23-13-18(25-7-9-26-10-8-25)15-5-3-4-6-16(15)21/h3-6,14,18,23H,7-11,13H2,1-2H3/t18-/m1/s1
InChIKeyAYMVGKORAXGVLS-GOSISDBHSA-N
XLogP3.88
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 35142556
5-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 139582231
5-[(2-morpholin-4-yl-2-phenylethyl)amino]-2-propan-2-yl-1,3-oxazole-4-carbonitrile
CID 43842696
2-[(4-chlorophenoxy)methyl]-5-[[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-1,3-oxazole-4-carbonitrile
CID 51699251
2-[(4-chlorophenoxy)methyl]-5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-1,3-oxazole-4-carbonitrile
CID 51699252
2-[(4-chlorophenoxy)methyl]-5-[[(2R)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 51699336
2-[(4-chlorophenoxy)methyl]-5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 46300073
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropan-1-amine
CID 83380866
5-[[(2R)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(2-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 51699333
2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 56726033
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-1,3-oxazole-4-carbonitrile
CID 98199082
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-[[(2R)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 98199294

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile (CID 35181136) is 5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile is CC(C)Cc1nc(C#N)c(NC[C@H](c2ccccc2Cl)N2CCOCC2)o1.
What is the InChIKey of 5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is AYMVGKORAXGVLS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-14(2)11-19-24-17(12-22)20(27-19)23-13-18(25-7-9-26-10-8-25)15-5-3-4-6-16(15)21/h3-6,14,18,23H,7-11,13H2,1-2H3/t18-/m1/s1.
What are the key properties of 5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile?
5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 388.90 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 35181136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).