2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile

C7H8N2O2 — CID 138470279

IUPAC2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile
SMILESCOc1cc(C(C)C#N)on1
InChIInChI=1S/C7H8N2O2/c1-5(4-8)6-3-7(10-2)9-11-6/h3,5H,1-2H3
InChIKeyGCFVSZFHRYWJOS-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.31
Rot. Bonds2

About 2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile

2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile (PubChem CID 138470279) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile.

Molecular Properties

Compound Name2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile
PubChem CID138470279
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile
SMILESCOc1cc(C(C)C#N)on1
InChIInChI=1S/C7H8N2O2/c1-5(4-8)6-3-7(10-2)9-11-6/h3,5H,1-2H3
InChIKeyGCFVSZFHRYWJOS-UHFFFAOYSA-N
XLogP1.31
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

chloro-(3-methoxy-1,2-oxazol-5-yl)methanol
CID 130283751
2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid
CID 14238404
5-(2-bromo-1-nitrosoethyl)-3-methoxy-1,2-oxazole
CID 54126789
3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole
CID 177243667
2-hydroxy-2-(3-propan-2-yl-1,2-oxazol-5-yl)acetonitrile
CID 130130105
3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide
CID 90573695
2-(2-amino-5-methoxyphenyl)propanenitrile
CID 10464838
3-methoxy-5-[5-(5-methyl-1,2-oxazol-3-yl)-6-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole
CID 138663615
2-methylpropoxycarbonyl 3-methoxy-1,2-oxazole-5-carboxylate
CID 10586291
2-(4-bromo-3,5-dimethoxyphenyl)propanenitrile
CID 84808824
2-(5-bromo-2-hydroxy-3-methoxyphenyl)propanenitrile
CID 131433064

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile?
The IUPAC name of 2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile (CID 138470279) is 2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile.
What is the SMILES notation for 2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile?
The canonical SMILES for 2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile is COc1cc(C(C)C#N)on1.
What is the InChIKey of 2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile?
The InChIKey is GCFVSZFHRYWJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-5(4-8)6-3-7(10-2)9-11-6/h3,5H,1-2H3.
What are the key properties of 2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile?
2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile has a molecular weight of 152.15 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile is sourced from PubChem (CID 138470279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).