5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile

C11H9N3O — CID 3236239

IUPAC5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile
SMILESCc1ccccc1-c1noc(N)c1C#N
InChIInChI=1S/C11H9N3O/c1-7-4-2-3-5-8(7)10-9(6-12)11(13)15-14-10/h2-5H,13H2,1H3
InChIKeyMKMUSRBILMAWNJ-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.10
Rot. Bonds1

About 5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile

5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile (PubChem CID 3236239) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile
PubChem CID3236239
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile
SMILESCc1ccccc1-c1noc(N)c1C#N
InChIInChI=1S/C11H9N3O/c1-7-4-2-3-5-8(7)10-9(6-12)11(13)15-14-10/h2-5H,13H2,1H3
InChIKeyMKMUSRBILMAWNJ-UHFFFAOYSA-N
XLogP2.10
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-4-phenylisoxazol-5-amine
CID 1382046
5-Amino-3-phenylisoxazole
CID 261201
3-(4-Methylphenyl)-1,2-oxazol-5-amine
CID 576446
3-p-Tolyl-isoxazole-4,5-dione dioxime
CID 562341
5-Amino-3-(3-methoxyphenyl)isoxazole-4-carbonitrile
CID 3237009
5-Methyl-3-phenylisoxazole-4-carboxamide
CID 644844
4-Methyl-3-phenyl-5-isoxazolamine
CID 570558
5-Amino-3-(4-fluorophenyl)-1,2-oxazole-4-carbonitrile
CID 6618851
5-Amino-3-phenyl-1,2-oxazole-4-carboxamide
CID 258112
Diphenyl-1,2-oxazol-5-amine
CID 1042732
3-(4-Iodophenyl)-1,2-oxazol-5-amine
CID 3670293
5-Amino-3-phenyl-1,2-oxazole-4-carbonitrile
CID 13449567

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile (CID 3236239) is 5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile is Cc1ccccc1-c1noc(N)c1C#N.
What is the InChIKey of 5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile?
The InChIKey is MKMUSRBILMAWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-7-4-2-3-5-8(7)10-9(6-12)11(13)15-14-10/h2-5H,13H2,1H3.
What are the key properties of 5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile?
5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile has a molecular weight of 199.21 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 3236239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).