5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

C14H15N3O2S — CID 940272

IUPAC5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESC[C@@H]1CN(c2oc(-c3cccs3)nc2C#N)C[C@H](C)O1
InChIInChI=1S/C14H15N3O2S/c1-9-7-17(8-10(2)18-9)14-11(6-15)16-13(19-14)12-4-3-5-20-12/h3-5,9-10H,7-8H2,1-2H3/t9-,10+
InChIKeyDEUUDJDJZKLUJV-AOOOYVTPSA-N
MW289.36 g/mol
LogP2.89
Rot. Bonds2

About 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 940272) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID940272
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESC[C@@H]1CN(c2oc(-c3cccs3)nc2C#N)C[C@H](C)O1
InChIInChI=1S/C14H15N3O2S/c1-9-7-17(8-10(2)18-9)14-11(6-15)16-13(19-14)12-4-3-5-20-12/h3-5,9-10H,7-8H2,1-2H3/t9-,10+
InChIKeyDEUUDJDJZKLUJV-AOOOYVTPSA-N
XLogP2.89
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile with MolForge

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Related Compounds

N-methyl-N-{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}tetrahydrofuran-3-amine
CID 16187472
(2R,6S)-2,6-dimethyl-4-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}morpholine
CID 16188352
3-Ethyl-4-{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}piperazin-2-one
CID 16188734
5-(Allylamino)-2-(2-thienyl)-1,3-oxazole-4-carbonitrile
CID 1986205
5-{[2-(Morpholin-4-yl)ethyl]amino}-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661062
5-[(2-Phenylethyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661185
5-(Benzylamino)-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661217
5-(Dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 661233
5-(4-Phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 891859
5-[(4-Methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 891939
5-(4-Morpholinyl)-2-thiophen-2-yl-4-oxazolecarbonitrile
CID 892396
5-(4-Benzyl-1-piperazinyl)-2-(2-thienyl)-1,3-oxazole-4-carbonitrile
CID 1978771

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 940272) is 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is C[C@@H]1CN(c2oc(-c3cccs3)nc2C#N)C[C@H](C)O1.
What is the InChIKey of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is DEUUDJDJZKLUJV-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-7-17(8-10(2)18-9)14-11(6-15)16-13(19-14)12-4-3-5-20-12/h3-5,9-10H,7-8H2,1-2H3/t9-,10+.
What are the key properties of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 289.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 940272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).