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

C18H22N4O2 — CID 95738521

IUPAC2-(2-methylphenyl)-5-[[(2R)-2-morpholin-4-ylpropyl]amino]-1,3-oxazole-4-carbonitrile
SMILESCc1ccccc1-c1nc(C#N)c(NC[C@@H](C)N2CCOCC2)o1
InChIInChI=1S/C18H22N4O2/c1-13-5-3-4-6-15(13)17-21-16(11-19)18(24-17)20-12-14(2)22-7-9-23-10-8-22/h3-6,14,20H,7-10,12H2,1-2H3/t14-/m1/s1
InChIKeyPVQUFUIGPOVUSA-CQSZACIVSA-N
MW326.40 g/mol
LogP2.65
Rot. Bonds5

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

2-(2-methylphenyl)-5-[[(2R)-2-morpholin-4-ylpropyl]amino]-1,3-oxazole-4-carbonitrile (PubChem CID 95738521) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-[[(2R)-2-morpholin-4-ylpropyl]amino]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-[[(2R)-2-morpholin-4-ylpropyl]amino]-1,3-oxazole-4-carbonitrile
PubChem CID95738521
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-(2-methylphenyl)-5-[[(2R)-2-morpholin-4-ylpropyl]amino]-1,3-oxazole-4-carbonitrile
SMILESCc1ccccc1-c1nc(C#N)c(NC[C@@H](C)N2CCOCC2)o1
InChIInChI=1S/C18H22N4O2/c1-13-5-3-4-6-15(13)17-21-16(11-19)18(24-17)20-12-14(2)22-7-9-23-10-8-22/h3-6,14,20H,7-10,12H2,1-2H3/t14-/m1/s1
InChIKeyPVQUFUIGPOVUSA-CQSZACIVSA-N
XLogP2.65
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.65
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-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 892575
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-[[(2R)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(2-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 51699333
5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 35142556
2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 56726033
5-[2-(4-ethylpiperazin-1-yl)propylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 121238628
5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
CID 35181136
5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile
CID 43865881
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-(2-methoxyphenyl)-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 7587606

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-[[(2R)-2-morpholin-4-ylpropyl]amino]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-methylphenyl)-5-[[(2R)-2-morpholin-4-ylpropyl]amino]-1,3-oxazole-4-carbonitrile (CID 95738521) is 2-(2-methylphenyl)-5-[[(2R)-2-morpholin-4-ylpropyl]amino]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-methylphenyl)-5-[[(2R)-2-morpholin-4-ylpropyl]amino]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-methylphenyl)-5-[[(2R)-2-morpholin-4-ylpropyl]amino]-1,3-oxazole-4-carbonitrile is Cc1ccccc1-c1nc(C#N)c(NC[C@@H](C)N2CCOCC2)o1.
What is the InChIKey of 2-(2-methylphenyl)-5-[[(2R)-2-morpholin-4-ylpropyl]amino]-1,3-oxazole-4-carbonitrile?
The InChIKey is PVQUFUIGPOVUSA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-5-3-4-6-15(13)17-21-16(11-19)18(24-17)20-12-14(2)22-7-9-23-10-8-22/h3-6,14,20H,7-10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-(2-methylphenyl)-5-[[(2R)-2-morpholin-4-ylpropyl]amino]-1,3-oxazole-4-carbonitrile?
2-(2-methylphenyl)-5-[[(2R)-2-morpholin-4-ylpropyl]amino]-1,3-oxazole-4-carbonitrile has a molecular weight of 326.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-[[(2R)-2-morpholin-4-ylpropyl]amino]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 95738521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).