N-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline

C18H26N2O — CID 63453530

IUPACN-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline
SMILESCC(C)CC(CC(C)C)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C18H26N2O/c1-13(2)8-17(9-14(3)4)20-16-7-5-6-15(10-16)18-11-19-12-21-18/h5-7,10-14,17,20H,8-9H2,1-4H3
InChIKeyTVAXOLJIRCJGIX-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.21
Rot. Bonds7

About N-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline

N-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline (PubChem CID 63453530) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline
PubChem CID63453530
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline
SMILESCC(C)CC(CC(C)C)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C18H26N2O/c1-13(2)8-17(9-14(3)4)20-16-7-5-6-15(10-16)18-11-19-12-21-18/h5-7,10-14,17,20H,8-9H2,1-4H3
InChIKeyTVAXOLJIRCJGIX-UHFFFAOYSA-N
XLogP5.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline (CID 63453530) is N-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline is CC(C)CC(CC(C)C)Nc1cccc(-c2cnco2)c1.
What is the InChIKey of N-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline?
The InChIKey is TVAXOLJIRCJGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)8-17(9-14(3)4)20-16-7-5-6-15(10-16)18-11-19-12-21-18/h5-7,10-14,17,20H,8-9H2,1-4H3.
What are the key properties of N-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline?
N-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline has a molecular weight of 286.42 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 63453530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).