N-[[2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3H-1,2-oxazol-5-yl]methyl]-N-ethylethanamine

C18H24ClN3O — CID 141441256

IUPACN-[[2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3H-1,2-oxazol-5-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1=CCN(CCc2c[nH]c3ccc(Cl)cc23)O1
InChIInChI=1S/C18H24ClN3O/c1-3-21(4-2)13-16-8-10-22(23-16)9-7-14-12-20-18-6-5-15(19)11-17(14)18/h5-6,8,11-12,20H,3-4,7,9-10,13H2,1-2H3
InChIKeyDZNRXSMTQAHQNW-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.84
Rot. Bonds7

About N-[[2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3H-1,2-oxazol-5-yl]methyl]-N-ethylethanamine

N-[[2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3H-1,2-oxazol-5-yl]methyl]-N-ethylethanamine (PubChem CID 141441256) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is N-[[2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3H-1,2-oxazol-5-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3H-1,2-oxazol-5-yl]methyl]-N-ethylethanamine
PubChem CID141441256
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC NameN-[[2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3H-1,2-oxazol-5-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1=CCN(CCc2c[nH]c3ccc(Cl)cc23)O1
InChIInChI=1S/C18H24ClN3O/c1-3-21(4-2)13-16-8-10-22(23-16)9-7-14-12-20-18-6-5-15(19)11-17(14)18/h5-6,8,11-12,20H,3-4,7,9-10,13H2,1-2H3
InChIKeyDZNRXSMTQAHQNW-UHFFFAOYSA-N
XLogP3.84
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3H-1,2-oxazol-5-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3H-1,2-oxazol-5-yl]methyl]-N-ethylethanamine (CID 141441256) is N-[[2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3H-1,2-oxazol-5-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3H-1,2-oxazol-5-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3H-1,2-oxazol-5-yl]methyl]-N-ethylethanamine is CCN(CC)CC1=CCN(CCc2c[nH]c3ccc(Cl)cc23)O1.
What is the InChIKey of N-[[2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3H-1,2-oxazol-5-yl]methyl]-N-ethylethanamine?
The InChIKey is DZNRXSMTQAHQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-3-21(4-2)13-16-8-10-22(23-16)9-7-14-12-20-18-6-5-15(19)11-17(14)18/h5-6,8,11-12,20H,3-4,7,9-10,13H2,1-2H3.
What are the key properties of N-[[2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3H-1,2-oxazol-5-yl]methyl]-N-ethylethanamine?
N-[[2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3H-1,2-oxazol-5-yl]methyl]-N-ethylethanamine has a molecular weight of 333.86 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3H-1,2-oxazol-5-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 141441256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).