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

C17H25N3O — CID 43678235

IUPACN-(5-methylheptan-3-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCCC(C)CC(CC)Nc1ccccc1-c1nc(C)no1
InChIInChI=1S/C17H25N3O/c1-5-12(3)11-14(6-2)19-16-10-8-7-9-15(16)17-18-13(4)20-21-17/h7-10,12,14,19H,5-6,11H2,1-4H3
InChIKeyQDFADYDAOQKRGI-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.67
Rot. Bonds7

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

N-(5-methylheptan-3-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 43678235) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(5-methylheptan-3-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound NameN-(5-methylheptan-3-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID43678235
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(5-methylheptan-3-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCCC(C)CC(CC)Nc1ccccc1-c1nc(C)no1
InChIInChI=1S/C17H25N3O/c1-5-12(3)11-14(6-2)19-16-10-8-7-9-15(16)17-18-13(4)20-21-17/h7-10,12,14,19H,5-6,11H2,1-4H3
InChIKeyQDFADYDAOQKRGI-UHFFFAOYSA-N
XLogP4.67
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpentan-3-yl)aniline
CID 43779863
N-(1,1-difluoropropan-2-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 102868329
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43678243
2-chloro-N-(5-methylheptan-3-yl)aniline
CID 43095365
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60841655
N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441440
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]propane-1,2-diol
CID 168593514
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylphenyl)methyl]aniline
CID 43678196
N-[(1-ethylpyrrol-3-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 66400103
1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol
CID 54962781
4-amino-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
CID 80543433
2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]sulfamoyl]propanoic acid
CID 61455232

Frequently Asked Questions

What is the IUPAC name of N-(5-methylheptan-3-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of N-(5-methylheptan-3-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (CID 43678235) is N-(5-methylheptan-3-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for N-(5-methylheptan-3-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for N-(5-methylheptan-3-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is CCC(C)CC(CC)Nc1ccccc1-c1nc(C)no1.
What is the InChIKey of N-(5-methylheptan-3-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is QDFADYDAOQKRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-12(3)11-14(6-2)19-16-10-8-7-9-15(16)17-18-13(4)20-21-17/h7-10,12,14,19H,5-6,11H2,1-4H3.
What are the key properties of N-(5-methylheptan-3-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
N-(5-methylheptan-3-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 287.41 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylheptan-3-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 43678235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).