2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-cyclopropyl-3H-1,2-oxazole

C16H17ClN2O — CID 137499191

IUPAC2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-cyclopropyl-3H-1,2-oxazole
SMILESClc1ccc2[nH]cc(CCN3CC=C(C4CC4)O3)c2c1
InChIInChI=1S/C16H17ClN2O/c17-13-3-4-15-14(9-13)12(10-18-15)5-7-19-8-6-16(20-19)11-1-2-11/h3-4,6,9-11,18H,1-2,5,7-8H2
InChIKeyUNGJNRSCAJEQNN-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.90
Rot. Bonds4

About 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-cyclopropyl-3H-1,2-oxazole

2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-cyclopropyl-3H-1,2-oxazole (PubChem CID 137499191) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-cyclopropyl-3H-1,2-oxazole.

Molecular Properties

Compound Name2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-cyclopropyl-3H-1,2-oxazole
PubChem CID137499191
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-cyclopropyl-3H-1,2-oxazole
SMILESClc1ccc2[nH]cc(CCN3CC=C(C4CC4)O3)c2c1
InChIInChI=1S/C16H17ClN2O/c17-13-3-4-15-14(9-13)12(10-18-15)5-7-19-8-6-16(20-19)11-1-2-11/h3-4,6,9-11,18H,1-2,5,7-8H2
InChIKeyUNGJNRSCAJEQNN-UHFFFAOYSA-N
XLogP3.90
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[2-(5-chloro-1H-indol-3-yl)ethyl]-3H-1,2-oxazol-5-yl]methyl]-N-ethylethanamine
CID 141441256
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
CID 11736386
3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 154878767
(4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine
CID 141441299
4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine
CID 57176365
2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methyl]-3H-1,2,4-oxadiazole
CID 141441283
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
CID 90747819
2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane
CID 170598946
5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione
CID 73259625

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-cyclopropyl-3H-1,2-oxazole?
The IUPAC name of 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-cyclopropyl-3H-1,2-oxazole (CID 137499191) is 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-cyclopropyl-3H-1,2-oxazole.
What is the SMILES notation for 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-cyclopropyl-3H-1,2-oxazole?
The canonical SMILES for 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-cyclopropyl-3H-1,2-oxazole is Clc1ccc2[nH]cc(CCN3CC=C(C4CC4)O3)c2c1.
What is the InChIKey of 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-cyclopropyl-3H-1,2-oxazole?
The InChIKey is UNGJNRSCAJEQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-13-3-4-15-14(9-13)12(10-18-15)5-7-19-8-6-16(20-19)11-1-2-11/h3-4,6,9-11,18H,1-2,5,7-8H2.
What are the key properties of 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-cyclopropyl-3H-1,2-oxazole?
2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-cyclopropyl-3H-1,2-oxazole has a molecular weight of 288.78 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-cyclopropyl-3H-1,2-oxazole is sourced from PubChem (CID 137499191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).