2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile

C18H21FN4O2 — CID 56726033

IUPAC2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(C(CNc2oc(CF)nc2C#N)N2CCOCC2)cc1
InChIInChI=1S/C18H21FN4O2/c1-13-2-4-14(5-3-13)16(23-6-8-24-9-7-23)12-21-18-15(11-20)22-17(10-19)25-18/h2-5,16,21H,6-10,12H2,1H3
InChIKeyOOEPMYFYAIRKRM-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.81
Rot. Bonds6

About 2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile

2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile (PubChem CID 56726033) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
PubChem CID56726033
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(C(CNc2oc(CF)nc2C#N)N2CCOCC2)cc1
InChIInChI=1S/C18H21FN4O2/c1-13-2-4-14(5-3-13)16(23-6-8-24-9-7-23)12-21-18-15(11-20)22-17(10-19)25-18/h2-5,16,21H,6-10,12H2,1H3
InChIKeyOOEPMYFYAIRKRM-UHFFFAOYSA-N
XLogP2.81
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenyl)-5-[[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35180679
5-[(2-morpholin-4-yl-2-phenylethyl)amino]-2-propan-2-yl-1,3-oxazole-4-carbonitrile
CID 43842696
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
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
5-[[(2R)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(2-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 51699333
2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 139582550
5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 51699494
5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
CID 35181136
2-[(2,4-dimethylphenoxy)methyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 46299941
5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile
CID 43865881

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile (CID 56726033) is 2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile is Cc1ccc(C(CNc2oc(CF)nc2C#N)N2CCOCC2)cc1.
What is the InChIKey of 2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile?
The InChIKey is OOEPMYFYAIRKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13-2-4-14(5-3-13)16(23-6-8-24-9-7-23)12-21-18-15(11-20)22-17(10-19)25-18/h2-5,16,21H,6-10,12H2,1H3.
What are the key properties of 2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile?
2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile has a molecular weight of 344.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 56726033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).