5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine

C11H9ClN4O — CID 117374898

IUPAC5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine
SMILESCn1nc(Cl)c2ccc(-c3cc(N)no3)cc21
InChIInChI=1S/C11H9ClN4O/c1-16-8-4-6(9-5-10(13)15-17-9)2-3-7(8)11(12)14-16/h2-5H,1H3,(H2,13,15)
InChIKeyZTGAZFSCPFWINI-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.46
Rot. Bonds1

About 5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine

5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine (PubChem CID 117374898) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine
PubChem CID117374898
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine
SMILESCn1nc(Cl)c2ccc(-c3cc(N)no3)cc21
InChIInChI=1S/C11H9ClN4O/c1-16-8-4-6(9-5-10(13)15-17-9)2-3-7(8)11(12)14-16/h2-5H,1H3,(H2,13,15)
InChIKeyZTGAZFSCPFWINI-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-5-yl)-1,2-oxazol-3-amine
CID 117374897
5-(3-chloro-1-methylindazol-4-yl)-1,2-oxazol-3-amine
CID 117374896
4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine
CID 117372451
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine
CID 82467912
5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine
CID 66199808
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine
CID 117472955
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine
CID 117389001
5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 117401361
1-(3-chloro-1-methylindazol-6-yl)ethanol
CID 84678090

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine (CID 117374898) is 5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine is Cn1nc(Cl)c2ccc(-c3cc(N)no3)cc21.
What is the InChIKey of 5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine?
The InChIKey is ZTGAZFSCPFWINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c1-16-8-4-6(9-5-10(13)15-17-9)2-3-7(8)11(12)14-16/h2-5H,1H3,(H2,13,15).
What are the key properties of 5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine?
5-(3-chloro-1-methylindazol-6-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-6-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117374898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).