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

C11H14N2O — CID 10583839

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
SMILESCC1(C)COC(c2ccccc2N)=N1
InChIInChI=1S/C11H14N2O/c1-11(2)7-14-10(13-11)8-5-3-4-6-9(8)12/h3-6H,7,12H2,1-2H3
InChIKeyQDZXKPVTJDXUQU-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.82
Rot. Bonds1

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

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline (PubChem CID 10583839) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
PubChem CID10583839
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
SMILESCC1(C)COC(c2ccccc2N)=N1
InChIInChI=1S/C11H14N2O/c1-11(2)7-14-10(13-11)8-5-3-4-6-9(8)12/h3-6H,7,12H2,1-2H3
InChIKeyQDZXKPVTJDXUQU-UHFFFAOYSA-N
XLogP1.82
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.82
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

2-(Methoxymethyl)aniline
CID 12334306
2-(((2-Aminophenyl)methoxy)methyl)aniline
CID 12618671
2-Methoxymethyl-p-phenylenediamine
CID 9793859
2-(4-Aminophenyl)-2-oxazoline
CID 423937
4,4-Dimethyl-2-(3-nitrophenyl)-4,5-dihydro-1,3-oxazole
CID 639991
2-[(Tert-butoxy)methyl]aniline
CID 28995272
1-Isothiocyanato-2-(methoxymethyl)benzene
CID 61504409
3-Fluoro-2-(methoxymethyl)aniline
CID 63331648
ethyl N-phenylbenzenecarboximidate
CID 290892
2-(4,5-Dihydro-1,3-oxazol-2-yl)aniline
CID 10702136
2-Methyl-4H-3,1-benzoxazine
CID 10725495
2-Phenyl-4H-3,1-benzoxazine
CID 10998271

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline (CID 10583839) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline is CC1(C)COC(c2ccccc2N)=N1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline?
The InChIKey is QDZXKPVTJDXUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2)7-14-10(13-11)8-5-3-4-6-9(8)12/h3-6H,7,12H2,1-2H3.
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline has a molecular weight of 190.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 10583839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).