N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline

C14H19N3O — CID 43675457

IUPACN-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCCC(C)CNc1ccccc1-c1nnc(C)o1
InChIInChI=1S/C14H19N3O/c1-4-10(2)9-15-13-8-6-5-7-12(13)14-17-16-11(3)18-14/h5-8,10,15H,4,9H2,1-3H3
InChIKeySEMWKSQWTVHEOL-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.50
Rot. Bonds5

About N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline

N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43675457) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID43675457
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCCC(C)CNc1ccccc1-c1nnc(C)o1
InChIInChI=1S/C14H19N3O/c1-4-10(2)9-15-13-8-6-5-7-12(13)14-17-16-11(3)18-14/h5-8,10,15H,4,9H2,1-3H3
InChIKeySEMWKSQWTVHEOL-UHFFFAOYSA-N
XLogP3.50
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (CID 43675457) is N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is CCC(C)CNc1ccccc1-c1nnc(C)o1.
What is the InChIKey of N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is SEMWKSQWTVHEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-10(2)9-15-13-8-6-5-7-12(13)14-17-16-11(3)18-14/h5-8,10,15H,4,9H2,1-3H3.
What are the key properties of N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 245.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43675457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).