N-(1,3,4-oxadiazol-2-ylmethyl)-2,6-di(propan-2-yl)aniline

C15H21N3O — CID 23462311

IUPACN-(1,3,4-oxadiazol-2-ylmethyl)-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NCc1nnco1
InChIInChI=1S/C15H21N3O/c1-10(2)12-6-5-7-13(11(3)4)15(12)16-8-14-18-17-9-19-14/h5-7,9-11,16H,8H2,1-4H3
InChIKeyPYCISDOGYZTEMZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.93
Rot. Bonds5

About N-(1,3,4-oxadiazol-2-ylmethyl)-2,6-di(propan-2-yl)aniline

N-(1,3,4-oxadiazol-2-ylmethyl)-2,6-di(propan-2-yl)aniline (PubChem CID 23462311) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1,3,4-oxadiazol-2-ylmethyl)-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-(1,3,4-oxadiazol-2-ylmethyl)-2,6-di(propan-2-yl)aniline
PubChem CID23462311
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1,3,4-oxadiazol-2-ylmethyl)-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NCc1nnco1
InChIInChI=1S/C15H21N3O/c1-10(2)12-6-5-7-13(11(3)4)15(12)16-8-14-18-17-9-19-14/h5-7,9-11,16H,8H2,1-4H3
InChIKeyPYCISDOGYZTEMZ-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-oxadiazol-2-ylmethyl)-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-(1,3,4-oxadiazol-2-ylmethyl)-2,6-di(propan-2-yl)aniline (CID 23462311) is N-(1,3,4-oxadiazol-2-ylmethyl)-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-(1,3,4-oxadiazol-2-ylmethyl)-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-(1,3,4-oxadiazol-2-ylmethyl)-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1NCc1nnco1.
What is the InChIKey of N-(1,3,4-oxadiazol-2-ylmethyl)-2,6-di(propan-2-yl)aniline?
The InChIKey is PYCISDOGYZTEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)12-6-5-7-13(11(3)4)15(12)16-8-14-18-17-9-19-14/h5-7,9-11,16H,8H2,1-4H3.
What are the key properties of N-(1,3,4-oxadiazol-2-ylmethyl)-2,6-di(propan-2-yl)aniline?
N-(1,3,4-oxadiazol-2-ylmethyl)-2,6-di(propan-2-yl)aniline has a molecular weight of 259.35 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-oxadiazol-2-ylmethyl)-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 23462311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).