4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine

C11H8ClN3O — CID 117339591

IUPAC4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc2[nH]ccc2cc1Cl
InChIInChI=1S/C11H8ClN3O/c12-9-3-6-1-2-14-10(6)4-7(9)8-5-15-16-11(8)13/h1-5,14H,13H2
InChIKeyNZONMVGINCLJHF-UHFFFAOYSA-N
MW233.66 g/mol
LogP3.06
Rot. Bonds1

About 4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine

4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine (PubChem CID 117339591) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine
PubChem CID117339591
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc2[nH]ccc2cc1Cl
InChIInChI=1S/C11H8ClN3O/c12-9-3-6-1-2-14-10(6)4-7(9)8-5-15-16-11(8)13/h1-5,14H,13H2
InChIKeyNZONMVGINCLJHF-UHFFFAOYSA-N
XLogP3.06
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine
CID 96596110
5,6-dichloro-1H-indole
CID 10487776
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117333106
4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine
CID 117330207
4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine
CID 117446934
4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-amine
CID 117445500
4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol
CID 117329312
4-(2,5-dichloro-3-fluorophenyl)-1,2-oxazol-5-amine
CID 117369363
4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine
CID 117349722
4-(2,5-dichloroquinolin-6-yl)-1,2-oxazol-5-amine
CID 117449345
4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine
CID 117372446

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine (CID 117339591) is 4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine is Nc1oncc1-c1cc2[nH]ccc2cc1Cl.
What is the InChIKey of 4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine?
The InChIKey is NZONMVGINCLJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-9-3-6-1-2-14-10(6)4-7(9)8-5-15-16-11(8)13/h1-5,14H,13H2.
What are the key properties of 4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine?
4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine has a molecular weight of 233.66 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117339591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).