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

C15H21N3O — CID 43735645

IUPAC2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1cc(-c2nnco2)ccc1NC(C)CC(C)C
InChIInChI=1S/C15H21N3O/c1-10(2)7-12(4)17-14-6-5-13(8-11(14)3)15-18-16-9-19-15/h5-6,8-10,12,17H,7H2,1-4H3
InChIKeyWMLYIDSHUHLBSA-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.89
Rot. Bonds5

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

2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43735645) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43735645
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1cc(-c2nnco2)ccc1NC(C)CC(C)C
InChIInChI=1S/C15H21N3O/c1-10(2)7-12(4)17-14-6-5-13(8-11(14)3)15-18-16-9-19-15/h5-6,8-10,12,17H,7H2,1-4H3
InChIKeyWMLYIDSHUHLBSA-UHFFFAOYSA-N
XLogP3.89
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 115929055
2-amino-4-methyl-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 43713909
methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate
CID 66174734
N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide
CID 64585706
N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701514
5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine
CID 103388781
2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63681213
2,4-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 43104153
3-chloro-2-methyl-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propane-1-sulfonamide
CID 79557380
2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735583
N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 62345905
N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701914

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline (CID 43735645) is 2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline is Cc1cc(-c2nnco2)ccc1NC(C)CC(C)C.
What is the InChIKey of 2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is WMLYIDSHUHLBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)7-12(4)17-14-6-5-13(8-11(14)3)15-18-16-9-19-15/h5-6,8-10,12,17H,7H2,1-4H3.
What are the key properties of 2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline?
2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 259.35 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43735645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).