N-tert-butyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine

C19H22N4O2 — CID 90256909

IUPACN-tert-butyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)Nc1nnc(-c2ccc3[nH]cc(C4=CCOCC4)c3c2)o1
InChIInChI=1S/C19H22N4O2/c1-19(2,3)21-18-23-22-17(25-18)13-4-5-16-14(10-13)15(11-20-16)12-6-8-24-9-7-12/h4-6,10-11,20H,7-9H2,1-3H3,(H,21,23)
InChIKeyHHDUOVPPPIAPTO-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.23
Rot. Bonds3

About N-tert-butyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine

N-tert-butyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 90256909) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-tert-butyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID90256909
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-tert-butyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)Nc1nnc(-c2ccc3[nH]cc(C4=CCOCC4)c3c2)o1
InChIInChI=1S/C19H22N4O2/c1-19(2,3)21-18-23-22-17(25-18)13-4-5-16-14(10-13)15(11-20-16)12-6-8-24-9-7-12/h4-6,10-11,20H,7-9H2,1-3H3,(H,21,23)
InChIKeyHHDUOVPPPIAPTO-UHFFFAOYSA-N
XLogP4.23
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (CID 90256909) is N-tert-butyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is CC(C)(C)Nc1nnc(-c2ccc3[nH]cc(C4=CCOCC4)c3c2)o1.
What is the InChIKey of N-tert-butyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is HHDUOVPPPIAPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-19(2,3)21-18-23-22-17(25-18)13-4-5-16-14(10-13)15(11-20-16)12-6-8-24-9-7-12/h4-6,10-11,20H,7-9H2,1-3H3,(H,21,23).
What are the key properties of N-tert-butyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
N-tert-butyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 338.41 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 90256909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).