5-morpholin-4-yl-2-propan-2-yl-1,3-oxazole-4-carbonitrile

C11H15N3O2 — CID 725648

IUPAC5-morpholin-4-yl-2-propan-2-yl-1,3-oxazole-4-carbonitrile
SMILESCC(C)c1nc(C#N)c(N2CCOCC2)o1
InChIInChI=1S/C11H15N3O2/c1-8(2)10-13-9(7-12)11(16-10)14-3-5-15-6-4-14/h8H,3-6H2,1-2H3
InChIKeyVXCDXFSCXMPSKM-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.51
Rot. Bonds2

About 5-morpholin-4-yl-2-propan-2-yl-1,3-oxazole-4-carbonitrile

5-morpholin-4-yl-2-propan-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 725648) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-propan-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-morpholin-4-yl-2-propan-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID725648
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5-morpholin-4-yl-2-propan-2-yl-1,3-oxazole-4-carbonitrile
SMILESCC(C)c1nc(C#N)c(N2CCOCC2)o1
InChIInChI=1S/C11H15N3O2/c1-8(2)10-13-9(7-12)11(16-10)14-3-5-15-6-4-14/h8H,3-6H2,1-2H3
InChIKeyVXCDXFSCXMPSKM-UHFFFAOYSA-N
XLogP1.51
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-propan-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-morpholin-4-yl-2-propan-2-yl-1,3-oxazole-4-carbonitrile (CID 725648) is 5-morpholin-4-yl-2-propan-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-morpholin-4-yl-2-propan-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-morpholin-4-yl-2-propan-2-yl-1,3-oxazole-4-carbonitrile is CC(C)c1nc(C#N)c(N2CCOCC2)o1.
What is the InChIKey of 5-morpholin-4-yl-2-propan-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is VXCDXFSCXMPSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(2)10-13-9(7-12)11(16-10)14-3-5-15-6-4-14/h8H,3-6H2,1-2H3.
What are the key properties of 5-morpholin-4-yl-2-propan-2-yl-1,3-oxazole-4-carbonitrile?
5-morpholin-4-yl-2-propan-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 221.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-propan-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 725648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).