4-(4,5-dimethylimidazol-1-yl)-N-[(4-methyl-1,2-oxazol-3-yl)methyl]aniline

C16H18N4O — CID 138014482

IUPAC4-(4,5-dimethylimidazol-1-yl)-N-[(4-methyl-1,2-oxazol-3-yl)methyl]aniline
SMILESCc1conc1CNc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C16H18N4O/c1-11-9-21-19-16(11)8-17-14-4-6-15(7-5-14)20-10-18-12(2)13(20)3/h4-7,9-10,17H,8H2,1-3H3
InChIKeyMSNYXPBUTBNJIY-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.40
Rot. Bonds4

About 4-(4,5-dimethylimidazol-1-yl)-N-[(4-methyl-1,2-oxazol-3-yl)methyl]aniline

4-(4,5-dimethylimidazol-1-yl)-N-[(4-methyl-1,2-oxazol-3-yl)methyl]aniline (PubChem CID 138014482) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-N-[(4-methyl-1,2-oxazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-N-[(4-methyl-1,2-oxazol-3-yl)methyl]aniline
PubChem CID138014482
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-N-[(4-methyl-1,2-oxazol-3-yl)methyl]aniline
SMILESCc1conc1CNc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C16H18N4O/c1-11-9-21-19-16(11)8-17-14-4-6-15(7-5-14)20-10-18-12(2)13(20)3/h4-7,9-10,17H,8H2,1-3H3
InChIKeyMSNYXPBUTBNJIY-UHFFFAOYSA-N
XLogP3.40
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N-[(4-methyl-1,2-oxazol-3-yl)methyl]aniline?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N-[(4-methyl-1,2-oxazol-3-yl)methyl]aniline (CID 138014482) is 4-(4,5-dimethylimidazol-1-yl)-N-[(4-methyl-1,2-oxazol-3-yl)methyl]aniline.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-N-[(4-methyl-1,2-oxazol-3-yl)methyl]aniline?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-N-[(4-methyl-1,2-oxazol-3-yl)methyl]aniline is Cc1conc1CNc1ccc(-n2cnc(C)c2C)cc1.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-N-[(4-methyl-1,2-oxazol-3-yl)methyl]aniline?
The InChIKey is MSNYXPBUTBNJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-9-21-19-16(11)8-17-14-4-6-15(7-5-14)20-10-18-12(2)13(20)3/h4-7,9-10,17H,8H2,1-3H3.
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-N-[(4-methyl-1,2-oxazol-3-yl)methyl]aniline?
4-(4,5-dimethylimidazol-1-yl)-N-[(4-methyl-1,2-oxazol-3-yl)methyl]aniline has a molecular weight of 282.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-N-[(4-methyl-1,2-oxazol-3-yl)methyl]aniline is sourced from PubChem (CID 138014482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).