3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylaniline

C12H16N2O — CID 14407618

IUPAC3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylaniline
SMILESCc1c(N)cccc1C1=NC(C)(C)CO1
InChIInChI=1S/C12H16N2O/c1-8-9(5-4-6-10(8)13)11-14-12(2,3)7-15-11/h4-6H,7,13H2,1-3H3
InChIKeyUOWKGQOKWQHBEV-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.13
Rot. Bonds1

About 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylaniline

3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylaniline (PubChem CID 14407618) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylaniline.

Molecular Properties

Compound Name3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylaniline
PubChem CID14407618
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylaniline
SMILESCc1c(N)cccc1C1=NC(C)(C)CO1
InChIInChI=1S/C12H16N2O/c1-8-9(5-4-6-10(8)13)11-14-12(2,3)7-15-11/h4-6H,7,13H2,1-3H3
InChIKeyUOWKGQOKWQHBEV-UHFFFAOYSA-N
XLogP2.13
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylaniline?
The IUPAC name of 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylaniline (CID 14407618) is 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylaniline.
What is the SMILES notation for 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylaniline?
The canonical SMILES for 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylaniline is Cc1c(N)cccc1C1=NC(C)(C)CO1.
What is the InChIKey of 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylaniline?
The InChIKey is UOWKGQOKWQHBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-9(5-4-6-10(8)13)11-14-12(2,3)7-15-11/h4-6H,7,13H2,1-3H3.
What are the key properties of 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylaniline?
3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylaniline has a molecular weight of 204.27 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylaniline is sourced from PubChem (CID 14407618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).