5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine

C11H8ClN3O — CID 136985724

IUPAC5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc3cccc(Cl)c3[nH]2)on1
InChIInChI=1S/C11H8ClN3O/c12-7-3-1-2-6-4-8(14-11(6)7)9-5-10(13)15-16-9/h1-5,14H,(H2,13,15)
InChIKeyFACJOOQZKQOJRR-UHFFFAOYSA-N
MW233.66 g/mol
LogP3.06
Rot. Bonds1

About 5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine

5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine (PubChem CID 136985724) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine
PubChem CID136985724
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc3cccc(Cl)c3[nH]2)on1
InChIInChI=1S/C11H8ClN3O/c12-7-3-1-2-6-4-8(14-11(6)7)9-5-10(13)15-16-9/h1-5,14H,(H2,13,15)
InChIKeyFACJOOQZKQOJRR-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

5-(7-chloro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985567
5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine
CID 136985780
6-(7-chloro-1H-indol-2-yl)pyridin-3-amine
CID 115110380
5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine
CID 115107942
7-chloro-2-(4-chlorophenyl)-1H-indole
CID 14045525
5-(4-bromo-1H-indol-2-yl)-1,2-oxazol-3-amine
CID 136985805
5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198012
5-(7-bromo-1H-indol-2-yl)-1,2-oxazole-3-carboxylic acid
CID 136985728
7-chloro-2-(4-methoxyphenyl)-1H-indole
CID 131886896
7-chloro-2-fluoro-1H-indole
CID 150428861
5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110110
(5S)-5-[3-chloro-5-(7-chloro-1H-indol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 157430745

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine (CID 136985724) is 5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine is Nc1cc(-c2cc3cccc(Cl)c3[nH]2)on1.
What is the InChIKey of 5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine?
The InChIKey is FACJOOQZKQOJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-7-3-1-2-6-4-8(14-11(6)7)9-5-10(13)15-16-9/h1-5,14H,(H2,13,15).
What are the key properties of 5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine?
5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-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 5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 136985724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).