6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole

C15H10ClN3O — CID 139379765

IUPAC6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole
SMILESCn1ncc2ccc(-c3nc4ccc(Cl)cc4o3)cc21
InChIInChI=1S/C15H10ClN3O/c1-19-13-6-9(2-3-10(13)8-17-19)15-18-12-5-4-11(16)7-14(12)20-15/h2-8H,1H3
InChIKeyJHEKSNSROAUMMZ-UHFFFAOYSA-N
MW283.72 g/mol
LogP4.03
Rot. Bonds1

About 6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole

6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole (PubChem CID 139379765) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole
PubChem CID139379765
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole
SMILESCn1ncc2ccc(-c3nc4ccc(Cl)cc4o3)cc21
InChIInChI=1S/C15H10ClN3O/c1-19-13-6-9(2-3-10(13)8-17-19)15-18-12-5-4-11(16)7-14(12)20-15/h2-8H,1H3
InChIKeyJHEKSNSROAUMMZ-UHFFFAOYSA-N
XLogP4.03
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-6-chloro-1,3-benzoxazole
CID 53497105
5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
CID 171512130
2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline
CID 81433223
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole
CID 167933054
2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol
CID 81433846
3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid
CID 81434008
2-(4-chlorophenyl)-1,3-benzoxazole-6-carbaldehyde
CID 12703739
[2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine
CID 82357445
N-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
CID 82357533
2-bromo-4-(5-chloro-1,3-benzoxazol-2-yl)-N,N-diethylaniline
CID 91684457
6-chloro-2-(chloromethyl)-1,3-benzoxazole
CID 16767389

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole (CID 139379765) is 6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole is Cn1ncc2ccc(-c3nc4ccc(Cl)cc4o3)cc21.
What is the InChIKey of 6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole?
The InChIKey is JHEKSNSROAUMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c1-19-13-6-9(2-3-10(13)8-17-19)15-18-12-5-4-11(16)7-14(12)20-15/h2-8H,1H3.
What are the key properties of 6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole?
6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole has a molecular weight of 283.72 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole is sourced from PubChem (CID 139379765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).