N-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline

C22H29N5O2 — CID 155063225

IUPACN-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCC(C)(C)c1nnc(CCCCCNc2cccc(-c3nc(C4CC4)no3)c2)o1
InChIInChI=1S/C22H29N5O2/c1-22(2,3)21-26-25-18(28-21)10-5-4-6-13-23-17-9-7-8-16(14-17)20-24-19(27-29-20)15-11-12-15/h7-9,14-15,23H,4-6,10-13H2,1-3H3
InChIKeyHPYOVDMTIABRAE-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.12
Rot. Bonds9

About N-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline

N-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 155063225) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound NameN-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID155063225
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCC(C)(C)c1nnc(CCCCCNc2cccc(-c3nc(C4CC4)no3)c2)o1
InChIInChI=1S/C22H29N5O2/c1-22(2,3)21-26-25-18(28-21)10-5-4-6-13-23-17-9-7-8-16(14-17)20-24-19(27-29-20)15-11-12-15/h7-9,14-15,23H,4-6,10-13H2,1-3H3
InChIKeyHPYOVDMTIABRAE-UHFFFAOYSA-N
XLogP5.12
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]benzene-1,3-diamine;ethene
CID 154683922
N-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline
CID 167077782
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-3-(2-cyclopropyloxypyrimidin-4-yl)aniline;ethene
CID 154682979
ethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline
CID 154683572
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 54924305
N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 64981860
methyl 6-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)anilino]hexanoate
CID 166977055
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
CID 55237242
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methyl-4-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]aniline
CID 154683351
N-[4-[3-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentylamino]phenyl]phenyl]methanesulfonamide
CID 166977321
3-bromo-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentyl]aniline
CID 166977158
N-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)hexan-2-yl]-3-(2-cyclopropyl-1,3-oxazol-5-yl)aniline
CID 166977002

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of N-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline (CID 155063225) is N-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for N-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for N-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline is CC(C)(C)c1nnc(CCCCCNc2cccc(-c3nc(C4CC4)no3)c2)o1.
What is the InChIKey of N-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is HPYOVDMTIABRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-22(2,3)21-26-25-18(28-21)10-5-4-6-13-23-17-9-7-8-16(14-17)20-24-19(27-29-20)15-11-12-15/h7-9,14-15,23H,4-6,10-13H2,1-3H3.
What are the key properties of N-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline?
N-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 395.51 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 155063225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).