N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine

C19H17ClN4O — CID 110652136

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine
SMILESClc1ccccc1-c1nnc(CNCCc2c[nH]c3ccccc23)o1
InChIInChI=1S/C19H17ClN4O/c20-16-7-3-1-6-15(16)19-24-23-18(25-19)12-21-10-9-13-11-22-17-8-4-2-5-14(13)17/h1-8,11,21-22H,9-10,12H2
InChIKeyUKNDRMLCEZPZHM-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.20
Rot. Bonds6

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine (PubChem CID 110652136) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine
PubChem CID110652136
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine
SMILESClc1ccccc1-c1nnc(CNCCc2c[nH]c3ccccc23)o1
InChIInChI=1S/C19H17ClN4O/c20-16-7-3-1-6-15(16)19-24-23-18(25-19)12-21-10-9-13-11-22-17-8-4-2-5-14(13)17/h1-8,11,21-22H,9-10,12H2
InChIKeyUKNDRMLCEZPZHM-UHFFFAOYSA-N
XLogP4.20
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 4719995
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-fluoroaniline
CID 110652178
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 6473561
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66407834
2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82159367
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 28781264
4-N-[(2-chlorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859869
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110334003

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine (CID 110652136) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine is Clc1ccccc1-c1nnc(CNCCc2c[nH]c3ccccc23)o1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
The InChIKey is UKNDRMLCEZPZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-16-7-3-1-6-15(16)19-24-23-18(25-19)12-21-10-9-13-11-22-17-8-4-2-5-14(13)17/h1-8,11,21-22H,9-10,12H2.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine has a molecular weight of 352.83 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 110652136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).