5-amino-4-methyl-1,2-oxazole-3-carbonitrile

C5H5N3O — CID 90903187

IUPAC5-amino-4-methyl-1,2-oxazole-3-carbonitrile
SMILESCc1c(C#N)noc1N
InChIInChI=1S/C5H5N3O/c1-3-4(2-6)8-9-5(3)7/h7H2,1H3
InChIKeyRRTBTFRKIQMUNW-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.44
Rot. Bonds

About 5-amino-4-methyl-1,2-oxazole-3-carbonitrile

5-amino-4-methyl-1,2-oxazole-3-carbonitrile (PubChem CID 90903187) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is 5-amino-4-methyl-1,2-oxazole-3-carbonitrile.

Molecular Properties

Compound Name5-amino-4-methyl-1,2-oxazole-3-carbonitrile
PubChem CID90903187
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC Name5-amino-4-methyl-1,2-oxazole-3-carbonitrile
SMILESCc1c(C#N)noc1N
InChIInChI=1S/C5H5N3O/c1-3-4(2-6)8-9-5(3)7/h7H2,1H3
InChIKeyRRTBTFRKIQMUNW-UHFFFAOYSA-N
XLogP0.44
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1,2-oxazole-3-carbonitrile?
The IUPAC name of 5-amino-4-methyl-1,2-oxazole-3-carbonitrile (CID 90903187) is 5-amino-4-methyl-1,2-oxazole-3-carbonitrile.
What is the SMILES notation for 5-amino-4-methyl-1,2-oxazole-3-carbonitrile?
The canonical SMILES for 5-amino-4-methyl-1,2-oxazole-3-carbonitrile is Cc1c(C#N)noc1N.
What is the InChIKey of 5-amino-4-methyl-1,2-oxazole-3-carbonitrile?
The InChIKey is RRTBTFRKIQMUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c1-3-4(2-6)8-9-5(3)7/h7H2,1H3.
What are the key properties of 5-amino-4-methyl-1,2-oxazole-3-carbonitrile?
5-amino-4-methyl-1,2-oxazole-3-carbonitrile has a molecular weight of 123.11 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1,2-oxazole-3-carbonitrile is sourced from PubChem (CID 90903187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).