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

C13H17N3O — CID 43206454

IUPACN-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCC(C)C(C)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C13H17N3O/c1-9(2)10(3)15-12-6-4-5-11(7-12)13-16-14-8-17-13/h4-10,15H,1-3H3
InChIKeyCAYAXJYJAPESDG-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.19
Rot. Bonds4

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

N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43206454) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43206454
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCC(C)C(C)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C13H17N3O/c1-9(2)10(3)15-12-6-4-5-11(7-12)13-16-14-8-17-13/h4-10,15H,1-3H3
InChIKeyCAYAXJYJAPESDG-UHFFFAOYSA-N
XLogP3.19
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline
CID 43206434
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
2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206442
N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 115928816
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
N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206470
3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993449
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43670240
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 83118930
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 63751911

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline (CID 43206454) is N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline is CC(C)C(C)Nc1cccc(-c2nnco2)c1.
What is the InChIKey of N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is CAYAXJYJAPESDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(2)10(3)15-12-6-4-5-11(7-12)13-16-14-8-17-13/h4-10,15H,1-3H3.
What are the key properties of N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline?
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 231.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43206454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).