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

C13H17N3O2 — CID 115928972

IUPACN-(3-methoxybutan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCOC(C)C(C)Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C13H17N3O2/c1-9(10(2)17-3)15-12-6-4-11(5-7-12)13-16-14-8-18-13/h4-10,15H,1-3H3
InChIKeyAJKBZXFPSAZUOI-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.57
Rot. Bonds5

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

N-(3-methoxybutan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 115928972) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID115928972
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(3-methoxybutan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCOC(C)C(C)Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C13H17N3O2/c1-9(10(2)17-3)15-12-6-4-11(5-7-12)13-16-14-8-18-13/h4-10,15H,1-3H3
InChIKeyAJKBZXFPSAZUOI-UHFFFAOYSA-N
XLogP2.57
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 55085987
N-(3-methoxybutan-2-yl)-4-(1,3-oxazol-5-yl)aniline
CID 113354064
2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid
CID 66172483
N-[1-(4-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43206403
N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43206395
4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115928974
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
[4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea
CID 169355998
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43770525
N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701514
N-(4-methylsulfanylbutyl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 103087303
methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate
CID 66174734

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-(3-methoxybutan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline (CID 115928972) is N-(3-methoxybutan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-(3-methoxybutan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-(3-methoxybutan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline is COC(C)C(C)Nc1ccc(-c2nnco2)cc1.
What is the InChIKey of N-(3-methoxybutan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is AJKBZXFPSAZUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(10(2)17-3)15-12-6-4-11(5-7-12)13-16-14-8-18-13/h4-10,15H,1-3H3.
What are the key properties of N-(3-methoxybutan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline?
N-(3-methoxybutan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 247.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 115928972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).