5-(5-bromo-3-ethyl-1H-indol-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazol-2-amine

C20H19BrN4O — CID 146443786

IUPAC5-(5-bromo-3-ethyl-1H-indol-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazol-2-amine
SMILESCCc1c(-c2nnc(NCCc3ccccc3)o2)[nH]c2ccc(Br)cc12
InChIInChI=1S/C20H19BrN4O/c1-2-15-16-12-14(21)8-9-17(16)23-18(15)19-24-25-20(26-19)22-11-10-13-6-4-3-5-7-13/h3-9,12,23H,2,10-11H2,1H3,(H,22,25)
InChIKeyYHBDDGPXWMFSSK-UHFFFAOYSA-N
MW411.30 g/mol
LogP5.20
Rot. Bonds6

About 5-(5-bromo-3-ethyl-1H-indol-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazol-2-amine

5-(5-bromo-3-ethyl-1H-indol-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 146443786) has the molecular formula C20H19BrN4O and a molecular weight of 411.30 g/mol. Its IUPAC name is 5-(5-bromo-3-ethyl-1H-indol-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(5-bromo-3-ethyl-1H-indol-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID146443786
Molecular FormulaC20H19BrN4O
Molecular Weight411.30 g/mol
Exact Mass410.07
IUPAC Name5-(5-bromo-3-ethyl-1H-indol-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazol-2-amine
SMILESCCc1c(-c2nnc(NCCc3ccccc3)o2)[nH]c2ccc(Br)cc12
InChIInChI=1S/C20H19BrN4O/c1-2-15-16-12-14(21)8-9-17(16)23-18(15)19-24-25-20(26-19)22-11-10-13-6-4-3-5-7-13/h3-9,12,23H,2,10-11H2,1H3,(H,22,25)
InChIKeyYHBDDGPXWMFSSK-UHFFFAOYSA-N
XLogP5.20
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5-(5-bromo-3-ethyl-1H-indol-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

5-bromo-3-pentyl-2-phenyl-1H-indole
CID 68813934
(5-bromo-2-ethyl-1H-indol-3-yl)methanamine
CID 83678398
N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine
CID 135015503
(1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2177287
7-bromo-N-(2-phenylethyl)-1,2,4-benzotriazin-3-amine
CID 45103445
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
CID 1261012
ethyl 3-benzyl-5-bromo-1H-indole-2-carboxylate
CID 69486311
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969532
2-ethyl-N-(2-phenylethyl)thieno[3,2-c]pyridin-4-amine
CID 141140835
4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 28903831
N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine
CID 11299717

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-3-ethyl-1H-indol-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(5-bromo-3-ethyl-1H-indol-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazol-2-amine (CID 146443786) is 5-(5-bromo-3-ethyl-1H-indol-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(5-bromo-3-ethyl-1H-indol-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(5-bromo-3-ethyl-1H-indol-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazol-2-amine is CCc1c(-c2nnc(NCCc3ccccc3)o2)[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-(5-bromo-3-ethyl-1H-indol-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is YHBDDGPXWMFSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O/c1-2-15-16-12-14(21)8-9-17(16)23-18(15)19-24-25-20(26-19)22-11-10-13-6-4-3-5-7-13/h3-9,12,23H,2,10-11H2,1H3,(H,22,25).
What are the key properties of 5-(5-bromo-3-ethyl-1H-indol-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazol-2-amine?
5-(5-bromo-3-ethyl-1H-indol-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 411.30 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-3-ethyl-1H-indol-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 146443786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).