3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-bis(prop-1-enyl)-9H-pyrido[3,4-b]indol-6-amine

C21H21N5O — CID 54192254

IUPAC3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-bis(prop-1-enyl)-9H-pyrido[3,4-b]indol-6-amine
SMILESCC=CN(C=CC)c1ccc2[nH]c3cnc(-c4nc(CC)no4)cc3c2c1
InChIInChI=1S/C21H21N5O/c1-4-9-26(10-5-2)14-7-8-17-15(11-14)16-12-18(22-13-19(16)23-17)21-24-20(6-3)25-27-21/h4-5,7-13,23H,6H2,1-3H3
InChIKeyPJIRECIGOFNWBO-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.20
Rot. Bonds5

About 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-bis(prop-1-enyl)-9H-pyrido[3,4-b]indol-6-amine

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-bis(prop-1-enyl)-9H-pyrido[3,4-b]indol-6-amine (PubChem CID 54192254) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-bis(prop-1-enyl)-9H-pyrido[3,4-b]indol-6-amine.

Molecular Properties

Compound Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-bis(prop-1-enyl)-9H-pyrido[3,4-b]indol-6-amine
PubChem CID54192254
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-bis(prop-1-enyl)-9H-pyrido[3,4-b]indol-6-amine
SMILESCC=CN(C=CC)c1ccc2[nH]c3cnc(-c4nc(CC)no4)cc3c2c1
InChIInChI=1S/C21H21N5O/c1-4-9-26(10-5-2)14-7-8-17-15(11-14)16-12-18(22-13-19(16)23-17)21-24-20(6-3)25-27-21/h4-5,7-13,23H,6H2,1-3H3
InChIKeyPJIRECIGOFNWBO-UHFFFAOYSA-N
XLogP5.20
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-bis(prop-1-enyl)-9H-pyrido[3,4-b]indol-6-amine with MolForge

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Related Compounds

3-ethyl-5-(5-pyrazin-2-yloxy-9H-pyrido[3,4-b]indol-3-yl)-1,2,4-oxadiazole
CID 14071982
5-(5-bromoisoquinolin-3-yl)-3-ethyl-1,2,4-oxadiazole
CID 155954337
5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole
CID 118348740
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole
CID 15069632
3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole
CID 131159596
3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069244
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole
CID 135976164
ethyl 6-[bis(2-methylprop-2-enyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13136265
3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine
CID 58925352
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol
CID 136904389

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-bis(prop-1-enyl)-9H-pyrido[3,4-b]indol-6-amine?
The IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-bis(prop-1-enyl)-9H-pyrido[3,4-b]indol-6-amine (CID 54192254) is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-bis(prop-1-enyl)-9H-pyrido[3,4-b]indol-6-amine.
What is the SMILES notation for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-bis(prop-1-enyl)-9H-pyrido[3,4-b]indol-6-amine?
The canonical SMILES for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-bis(prop-1-enyl)-9H-pyrido[3,4-b]indol-6-amine is CC=CN(C=CC)c1ccc2[nH]c3cnc(-c4nc(CC)no4)cc3c2c1.
What is the InChIKey of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-bis(prop-1-enyl)-9H-pyrido[3,4-b]indol-6-amine?
The InChIKey is PJIRECIGOFNWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-4-9-26(10-5-2)14-7-8-17-15(11-14)16-12-18(22-13-19(16)23-17)21-24-20(6-3)25-27-21/h4-5,7-13,23H,6H2,1-3H3.
What are the key properties of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-bis(prop-1-enyl)-9H-pyrido[3,4-b]indol-6-amine?
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-bis(prop-1-enyl)-9H-pyrido[3,4-b]indol-6-amine has a molecular weight of 359.43 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-bis(prop-1-enyl)-9H-pyrido[3,4-b]indol-6-amine is sourced from PubChem (CID 54192254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).