5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine

C11H9ClN4O — CID 117374896

IUPAC5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine
SMILESCn1nc(Cl)c2c(-c3cc(N)no3)cccc21
InChIInChI=1S/C11H9ClN4O/c1-16-7-4-2-3-6(10(7)11(12)14-16)8-5-9(13)15-17-8/h2-5H,1H3,(H2,13,15)
InChIKeyRPYYSCJVTJSONV-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.46
Rot. Bonds1

About 5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine

5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine (PubChem CID 117374896) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine
PubChem CID117374896
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine
SMILESCn1nc(Cl)c2c(-c3cc(N)no3)cccc21
InChIInChI=1S/C11H9ClN4O/c1-16-7-4-2-3-6(10(7)11(12)14-16)8-5-9(13)15-17-8/h2-5H,1H3,(H2,13,15)
InChIKeyRPYYSCJVTJSONV-UHFFFAOYSA-N
XLogP2.46
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine
CID 117374898
5-(3-chloro-1-methylindazol-5-yl)-1,2-oxazol-3-amine
CID 117374897
5-(2-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 117290994
5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine
CID 117321347
5-(2-iodophenyl)-1,2-oxazol-3-amine
CID 66200615
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198012
5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine
CID 117311098
5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine
CID 115111733
1-(3-chloro-1-methylindazol-4-yl)cyclobutan-1-amine
CID 117344001
5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine
CID 117327000
5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine
CID 115107942

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine (CID 117374896) is 5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine is Cn1nc(Cl)c2c(-c3cc(N)no3)cccc21.
What is the InChIKey of 5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine?
The InChIKey is RPYYSCJVTJSONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c1-16-7-4-2-3-6(10(7)11(12)14-16)8-5-9(13)15-17-8/h2-5H,1H3,(H2,13,15).
What are the key properties of 5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine?
5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine has a molecular weight of 248.67 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117374896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).