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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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).