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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Related Compounds

4-bromo-5-methyl-1,2-oxazole-3-carbonitrile
CID 116858984
3,4-dimethyl-1,2-oxazol-5-amine;ethane
CID 145491487
4-tert-butyl-5-methyl-1,2-oxazole-3-carbonitrile
CID 59233358
3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile
CID 10241308
5-amino-6-methylpyrazine-2,3-dicarbonitrile
CID 71440315
5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile
CID 3236239
3-[(3-amino-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1,2-oxazole-4-carbonitrile
CID 106525114
5-tert-butyl-4-chloro-1,2-oxazole-3-carbonitrile
CID 82373257
3,4,5-trimethyl-1,2-oxazole
CID 25375
5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile
CID 66155821
3-amino-6-bromo-5-methylpyridine-2-carbonitrile
CID 131305995
3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile
CID 167515078

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).