5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole

C15H12ClNO3 — CID 839464

IUPAC5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole
SMILESCOc1cc(OC)cc(-c2nc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C15H12ClNO3/c1-18-11-5-9(6-12(8-11)19-2)15-17-13-7-10(16)3-4-14(13)20-15/h3-8H,1-2H3
InChIKeyREDXBODXJOKTST-UHFFFAOYSA-N
MW289.72 g/mol
LogP4.17
Rot. Bonds3

About 5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole

5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole (PubChem CID 839464) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole
PubChem CID839464
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole
SMILESCOc1cc(OC)cc(-c2nc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C15H12ClNO3/c1-18-11-5-9(6-12(8-11)19-2)15-17-13-7-10(16)3-4-14(13)20-15/h3-8H,1-2H3
InChIKeyREDXBODXJOKTST-UHFFFAOYSA-N
XLogP4.17
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 5184898
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide
CID 1363611
5-chloro-2-(4-methylsulfonylphenyl)-1,3-benzoxazole
CID 67331973
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenoxy]-N-hydroxyacetamide
CID 24772600
2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 50874432
2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 43665734
2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole
CID 95909945
2-[4-(bromomethyl)phenyl]-5-chloro-1,3-benzoxazole
CID 14074210
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
[2-(3,5-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 162432686
2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole
CID 95910527
5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one
CID 606459

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole (CID 839464) is 5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole is COc1cc(OC)cc(-c2nc3cc(Cl)ccc3o2)c1.
What is the InChIKey of 5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole?
The InChIKey is REDXBODXJOKTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-18-11-5-9(6-12(8-11)19-2)15-17-13-7-10(16)3-4-14(13)20-15/h3-8H,1-2H3.
What are the key properties of 5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole?
5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole has a molecular weight of 289.72 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole is sourced from PubChem (CID 839464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).