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

C14H19N3O2 — CID 106675096

IUPACN-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCOC(C)(C)CCNc1cccc(-c2nnco2)c1
InChIInChI=1S/C14H19N3O2/c1-14(2,18-3)7-8-15-12-6-4-5-11(9-12)13-17-16-10-19-13/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyCTFNCZTYIHTAMY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.96
Rot. Bonds6

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

N-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 106675096) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID106675096
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCOC(C)(C)CCNc1cccc(-c2nnco2)c1
InChIInChI=1S/C14H19N3O2/c1-14(2,18-3)7-8-15-12-6-4-5-11(9-12)13-17-16-10-19-13/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyCTFNCZTYIHTAMY-UHFFFAOYSA-N
XLogP2.96
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine
CID 107444720
N-(2,2-dimethoxyethyl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 63685700
2-methyl-2-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]butan-1-ol
CID 81413545
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol
CID 65333020
N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28713589
N-(3-methoxy-3-methylbutyl)-3-(1,2,4-triazol-4-yl)aniline
CID 106675190
N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62756480
N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 66397871
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
4-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]benzonitrile
CID 28713696
[5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol
CID 64579745
3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662478

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline (CID 106675096) is N-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline is COC(C)(C)CCNc1cccc(-c2nnco2)c1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is CTFNCZTYIHTAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,18-3)7-8-15-12-6-4-5-11(9-12)13-17-16-10-19-13/h4-6,9-10,15H,7-8H2,1-3H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline?
N-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 261.32 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 106675096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).