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

C9H11N3O3 — CID 786395

IUPAC2-methoxy-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
SMILESCOc1nc(C#N)c(N2CCOCC2)o1
InChIInChI=1S/C9H11N3O3/c1-13-9-11-7(6-10)8(15-9)12-2-4-14-5-3-12/h2-5H2,1H3
InChIKeyFIRNEPFBYSKBQD-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.39
Rot. Bonds2

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

2-methoxy-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (PubChem CID 786395) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-methoxy-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-methoxy-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
PubChem CID786395
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-methoxy-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
SMILESCOc1nc(C#N)c(N2CCOCC2)o1
InChIInChI=1S/C9H11N3O3/c1-13-9-11-7(6-10)8(15-9)12-2-4-14-5-3-12/h2-5H2,1H3
InChIKeyFIRNEPFBYSKBQD-UHFFFAOYSA-N
XLogP0.39
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-methoxy-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (CID 786395) is 2-methoxy-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-methoxy-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-methoxy-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is COc1nc(C#N)c(N2CCOCC2)o1.
What is the InChIKey of 2-methoxy-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is FIRNEPFBYSKBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-13-9-11-7(6-10)8(15-9)12-2-4-14-5-3-12/h2-5H2,1H3.
What are the key properties of 2-methoxy-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
2-methoxy-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 209.20 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 786395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).