2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile

C12H17N3O2 — CID 725586

IUPAC2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
SMILESCC(C)Cc1nc(C#N)c(N2CCOCC2)o1
InChIInChI=1S/C12H17N3O2/c1-9(2)7-11-14-10(8-13)12(17-11)15-3-5-16-6-4-15/h9H,3-7H2,1-2H3
InChIKeyXPIDXFSJYHJOGO-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.58
Rot. Bonds3

About 2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile

2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (PubChem CID 725586) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
PubChem CID725586
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
SMILESCC(C)Cc1nc(C#N)c(N2CCOCC2)o1
InChIInChI=1S/C12H17N3O2/c1-9(2)7-11-14-10(8-13)12(17-11)15-3-5-16-6-4-15/h9H,3-7H2,1-2H3
InChIKeyXPIDXFSJYHJOGO-UHFFFAOYSA-N
XLogP1.58
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (CID 725586) is 2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is CC(C)Cc1nc(C#N)c(N2CCOCC2)o1.
What is the InChIKey of 2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is XPIDXFSJYHJOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(2)7-11-14-10(8-13)12(17-11)15-3-5-16-6-4-15/h9H,3-7H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 725586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).