2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline

C11H12N2O — CID 155718046

IUPAC2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline
SMILESCc1ccc(-c2cnoc2C)cc1N
InChIInChI=1S/C11H12N2O/c1-7-3-4-9(5-11(7)12)10-6-13-14-8(10)2/h3-6H,12H2,1-2H3
InChIKeyDMFFJTBCJFCCFT-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.54
Rot. Bonds1

About 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline

2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline (PubChem CID 155718046) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline.

Molecular Properties

Compound Name2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline
PubChem CID155718046
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline
SMILESCc1ccc(-c2cnoc2C)cc1N
InChIInChI=1S/C11H12N2O/c1-7-3-4-9(5-11(7)12)10-6-13-14-8(10)2/h3-6H,12H2,1-2H3
InChIKeyDMFFJTBCJFCCFT-UHFFFAOYSA-N
XLogP2.54
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
5-(2-aminophenyl)-2-methylaniline
CID 68793709
4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 115112194
5-(4-aminophenyl)-2-methylaniline
CID 68788638
4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one
CID 58128682
ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 171813495
4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
CID 117305301
5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline
CID 82471138
4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
CID 117305300
2-methyl-5-(2-pyridin-2-ylphenyl)aniline
CID 135030637
2-ethyl-3-(5-methyl-1,2-oxazol-4-yl)aniline
CID 69176055
2-methyl-5-(5-methyl-1H-imidazol-4-yl)aniline
CID 115017320

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline?
The IUPAC name of 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline (CID 155718046) is 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline.
What is the SMILES notation for 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline?
The canonical SMILES for 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline is Cc1ccc(-c2cnoc2C)cc1N.
What is the InChIKey of 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline?
The InChIKey is DMFFJTBCJFCCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-3-4-9(5-11(7)12)10-6-13-14-8(10)2/h3-6H,12H2,1-2H3.
What are the key properties of 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline?
2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline has a molecular weight of 188.23 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline is sourced from PubChem (CID 155718046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).