4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine

C12H10ClN3O — CID 117372446

IUPAC4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine
SMILESCc1c[nH]c2c(Cl)cc(-c3cnoc3N)cc12
InChIInChI=1S/C12H10ClN3O/c1-6-4-15-11-8(6)2-7(3-10(11)13)9-5-16-17-12(9)14/h2-5,15H,14H2,1H3
InChIKeyMSRAUUFOCWUNPT-UHFFFAOYSA-N
MW247.69 g/mol
LogP3.37
Rot. Bonds1

About 4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine

4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine (PubChem CID 117372446) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine
PubChem CID117372446
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine
SMILESCc1c[nH]c2c(Cl)cc(-c3cnoc3N)cc12
InChIInChI=1S/C12H10ClN3O/c1-6-4-15-11-8(6)2-7(3-10(11)13)9-5-16-17-12(9)14/h2-5,15H,14H2,1H3
InChIKeyMSRAUUFOCWUNPT-UHFFFAOYSA-N
XLogP3.37
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 115112194
4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine
CID 117364560
4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299829
4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117384751
4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine
CID 117325905
4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117450717
7-chloro-5-fluoro-3-methyl-1H-indole;ethane
CID 143713524
4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117416150
4-(3-chloro-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117353932
4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine
CID 115112238
4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117324756
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine (CID 117372446) is 4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine is Cc1c[nH]c2c(Cl)cc(-c3cnoc3N)cc12.
What is the InChIKey of 4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine?
The InChIKey is MSRAUUFOCWUNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-6-4-15-11-8(6)2-7(3-10(11)13)9-5-16-17-12(9)14/h2-5,15H,14H2,1H3.
What are the key properties of 4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine?
4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine has a molecular weight of 247.69 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117372446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).