N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline

C15H21N3O — CID 43206470

IUPACN-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCCCCC(C)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C15H21N3O/c1-3-4-5-7-12(2)17-14-9-6-8-13(10-14)15-18-16-11-19-15/h6,8-12,17H,3-5,7H2,1-2H3
InChIKeyMVDLEWTYFLXSLM-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.12
Rot. Bonds7

About N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline

N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43206470) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43206470
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCCCCC(C)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C15H21N3O/c1-3-4-5-7-12(2)17-14-9-6-8-13(10-14)15-18-16-11-19-15/h6,8-12,17H,3-5,7H2,1-2H3
InChIKeyMVDLEWTYFLXSLM-UHFFFAOYSA-N
XLogP4.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 115928816
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline
CID 43206434
N-heptan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745296
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol
CID 65333020
3-(1,3,4-oxadiazol-2-yl)-N-(1-pyridin-4-ylethyl)aniline
CID 43206444
N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745382
3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 62838743
2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206442
3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline
CID 43206471
N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206435
3-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206455

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline (CID 43206470) is N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline is CCCCCC(C)Nc1cccc(-c2nnco2)c1.
What is the InChIKey of N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is MVDLEWTYFLXSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-4-5-7-12(2)17-14-9-6-8-13(10-14)15-18-16-11-19-15/h6,8-12,17H,3-5,7H2,1-2H3.
What are the key properties of N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline?
N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 259.35 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43206470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).