N,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine

C19H26N4O — CID 40693933

IUPACN,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine
SMILESCCN(CC)CCn1c(-c2nnc(C(C)C)o2)cc2ccccc21
InChIInChI=1S/C19H26N4O/c1-5-22(6-2)11-12-23-16-10-8-7-9-15(16)13-17(23)19-21-20-18(24-19)14(3)4/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyTXQGUCVSGQEHPW-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.16
Rot. Bonds7

About N,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine

N,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine (PubChem CID 40693933) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine
PubChem CID40693933
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine
SMILESCCN(CC)CCn1c(-c2nnc(C(C)C)o2)cc2ccccc21
InChIInChI=1S/C19H26N4O/c1-5-22(6-2)11-12-23-16-10-8-7-9-15(16)13-17(23)19-21-20-18(24-19)14(3)4/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyTXQGUCVSGQEHPW-UHFFFAOYSA-N
XLogP4.16
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine (CID 40693933) is N,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine is CCN(CC)CCn1c(-c2nnc(C(C)C)o2)cc2ccccc21.
What is the InChIKey of N,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine?
The InChIKey is TXQGUCVSGQEHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-22(6-2)11-12-23-16-10-8-7-9-15(16)13-17(23)19-21-20-18(24-19)14(3)4/h7-10,13-14H,5-6,11-12H2,1-4H3.
What are the key properties of N,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine?
N,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine has a molecular weight of 326.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine is sourced from PubChem (CID 40693933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).