2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline

C12H14N2O — CID 61221864

IUPAC2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline
SMILESCc1cccc(C)c1NCc1cnoc1
InChIInChI=1S/C12H14N2O/c1-9-4-3-5-10(2)12(9)13-6-11-7-14-15-8-11/h3-5,7-8,13H,6H2,1-2H3
InChIKeyBDDCBZHKRQXROB-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.90
Rot. Bonds3

About 2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline

2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline (PubChem CID 61221864) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline
PubChem CID61221864
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline
SMILESCc1cccc(C)c1NCc1cnoc1
InChIInChI=1S/C12H14N2O/c1-9-4-3-5-10(2)12(9)13-6-11-7-14-15-8-11/h3-5,7-8,13H,6H2,1-2H3
InChIKeyBDDCBZHKRQXROB-UHFFFAOYSA-N
XLogP2.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-3-ylmethyl)-2,6-dimethylaniline
CID 115749450
4-ethyl-N-(1,2-oxazol-4-ylmethyl)aniline
CID 60870947
1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine
CID 139295160
2-fluoro-6-(1,2-oxazol-4-ylmethylamino)benzonitrile
CID 60871325
N,N'-bis(2,6-dimethylphenyl)methanediamine
CID 21130207
2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid
CID 103247796
2-ethyl-N-(furan-3-ylmethyl)-6-methylaniline
CID 63204552
N-[(2,4-dimethylpyrimidin-5-yl)methyl]-2,6-dimethylaniline
CID 160673167
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylaniline
CID 114936803
2-[(2,6-dimethylanilino)methyl]phenol
CID 4863460
2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide
CID 61220569
2,6-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 60688842

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline?
The IUPAC name of 2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline (CID 61221864) is 2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline.
What is the SMILES notation for 2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline?
The canonical SMILES for 2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline is Cc1cccc(C)c1NCc1cnoc1.
What is the InChIKey of 2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline?
The InChIKey is BDDCBZHKRQXROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-4-3-5-10(2)12(9)13-6-11-7-14-15-8-11/h3-5,7-8,13H,6H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline?
2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline has a molecular weight of 202.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline is sourced from PubChem (CID 61221864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).