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

C12H10ClN3O — CID 115107942

IUPAC5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine
SMILESCn1c(-c2cc(N)no2)cc2cccc(Cl)c21
InChIInChI=1S/C12H10ClN3O/c1-16-9(10-6-11(14)15-17-10)5-7-3-2-4-8(13)12(7)16/h2-6H,1H3,(H2,14,15)
InChIKeyMCJAVVYZFVOUKN-UHFFFAOYSA-N
MW247.69 g/mol
LogP3.07
Rot. Bonds1

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

5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine (PubChem CID 115107942) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine
PubChem CID115107942
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine
SMILESCn1c(-c2cc(N)no2)cc2cccc(Cl)c21
InChIInChI=1S/C12H10ClN3O/c1-16-9(10-6-11(14)15-17-10)5-7-3-2-4-8(13)12(7)16/h2-6H,1H3,(H2,14,15)
InChIKeyMCJAVVYZFVOUKN-UHFFFAOYSA-N
XLogP3.07
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(7-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine
CID 136985724
5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine
CID 115108043
2-(7-chloro-1-methylindol-2-yl)propan-1-amine
CID 83868392
5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198012
(7-chloro-1-methylindol-2-yl)methanethiol
CID 117183833
5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110113
5-(7-ethyl-1,2-dimethylindol-3-yl)-1,2-oxazol-3-amine
CID 84742263
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine
CID 117374896
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 117325876
3-(7-chloro-1-methylindol-2-yl)butan-1-amine
CID 83868398

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine (CID 115107942) is 5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine is Cn1c(-c2cc(N)no2)cc2cccc(Cl)c21.
What is the InChIKey of 5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine?
The InChIKey is MCJAVVYZFVOUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-16-9(10-6-11(14)15-17-10)5-7-3-2-4-8(13)12(7)16/h2-6H,1H3,(H2,14,15).
What are the key properties of 5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine?
5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine has a molecular weight of 247.69 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 115107942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).