N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline

C18H26N2O — CID 43704826

IUPACN-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
SMILESCCC(C)CC(CC)Nc1ccc(-c2coc(C)n2)cc1
InChIInChI=1S/C18H26N2O/c1-5-13(3)11-16(6-2)20-17-9-7-15(8-10-17)18-12-21-14(4)19-18/h7-10,12-13,16,20H,5-6,11H2,1-4H3
InChIKeyRIURMSOMFOOGCH-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.28
Rot. Bonds7

About N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline

N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline (PubChem CID 43704826) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline.

Molecular Properties

Compound NameN-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
PubChem CID43704826
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
SMILESCCC(C)CC(CC)Nc1ccc(-c2coc(C)n2)cc1
InChIInChI=1S/C18H26N2O/c1-5-13(3)11-16(6-2)20-17-9-7-15(8-10-17)18-12-21-14(4)19-18/h7-10,12-13,16,20H,5-6,11H2,1-4H3
InChIKeyRIURMSOMFOOGCH-UHFFFAOYSA-N
XLogP5.28
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 ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The IUPAC name of N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline (CID 43704826) is N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline.
What is the SMILES notation for N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The canonical SMILES for N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline is CCC(C)CC(CC)Nc1ccc(-c2coc(C)n2)cc1.
What is the InChIKey of N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The InChIKey is RIURMSOMFOOGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-13(3)11-16(6-2)20-17-9-7-15(8-10-17)18-12-21-14(4)19-18/h7-10,12-13,16,20H,5-6,11H2,1-4H3.
What are the key properties of N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline?
N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline has a molecular weight of 286.42 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline is sourced from PubChem (CID 43704826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).