5-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile

C24H22ClFN4O2 — CID 139582231

IUPAC5-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(/C=C/c2ccc(F)cc2)oc1NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C24H22ClFN4O2/c25-20-4-2-1-3-19(20)22(30-11-13-31-14-12-30)16-28-24-21(15-27)29-23(32-24)10-7-17-5-8-18(26)9-6-17/h1-10,22,28H,11-14,16H2/b10-7+
InChIKeyKEERVRKBOIVFPG-JXMROGBWSA-N
MW452.92 g/mol
LogP4.99
Rot. Bonds7

About 5-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile

5-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile (PubChem CID 139582231) has the molecular formula C24H22ClFN4O2 and a molecular weight of 452.92 g/mol. Its IUPAC name is 5-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
PubChem CID139582231
Molecular FormulaC24H22ClFN4O2
Molecular Weight452.92 g/mol
Exact Mass452.14
IUPAC Name5-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(/C=C/c2ccc(F)cc2)oc1NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C24H22ClFN4O2/c25-20-4-2-1-3-19(20)22(30-11-13-31-14-12-30)16-28-24-21(15-27)29-23(32-24)10-7-17-5-8-18(26)9-6-17/h1-10,22,28H,11-14,16H2/b10-7+
InChIKeyKEERVRKBOIVFPG-JXMROGBWSA-N
XLogP4.99
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-fluorophenyl)ethenyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 171145905
5-[[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]amino]-2-[2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 171145904
5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
CID 35181136
5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 35142556
5-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 139582229
5-[(2-morpholin-4-yl-2-phenylethyl)amino]-2-propan-2-yl-1,3-oxazole-4-carbonitrile
CID 43842696
5-[[2-(2,4-difluorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-methyl-1,3-oxazole-4-carbonitrile
CID 110210578
5-[[(2R)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(2-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 51699333
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide
CID 60530251
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide
CID 35041725
5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 98385823
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-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile (CID 139582231) is 5-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(/C=C/c2ccc(F)cc2)oc1NCC(c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of 5-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is KEERVRKBOIVFPG-JXMROGBWSA-N. The full InChI is InChI=1S/C24H22ClFN4O2/c25-20-4-2-1-3-19(20)22(30-11-13-31-14-12-30)16-28-24-21(15-27)29-23(32-24)10-7-17-5-8-18(26)9-6-17/h1-10,22,28H,11-14,16H2/b10-7+.
What are the key properties of 5-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile?
5-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 452.92 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 139582231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).