6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole

C14H8ClNO3 — CID 140533892

IUPAC6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole
SMILESClc1cccc(-c2nc3cc4c(cc3o2)OCO4)c1
InChIInChI=1S/C14H8ClNO3/c15-9-3-1-2-8(4-9)14-16-10-5-12-13(18-7-17-12)6-11(10)19-14/h1-6H,7H2
InChIKeyYTJGMVHZALPOJS-UHFFFAOYSA-N
MW273.68 g/mol
LogP3.88
Rot. Bonds1

About 6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole

6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole (PubChem CID 140533892) has the molecular formula C14H8ClNO3 and a molecular weight of 273.68 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole.

Molecular Properties

Compound Name6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole
PubChem CID140533892
Molecular FormulaC14H8ClNO3
Molecular Weight273.68 g/mol
Exact Mass273.02
IUPAC Name6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole
SMILESClc1cccc(-c2nc3cc4c(cc3o2)OCO4)c1
InChIInChI=1S/C14H8ClNO3/c15-9-3-1-2-8(4-9)14-16-10-5-12-13(18-7-17-12)6-11(10)19-14/h1-6H,7H2
InChIKeyYTJGMVHZALPOJS-UHFFFAOYSA-N
XLogP3.88
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-6-amine
CID 115539701
2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 721061
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole
CID 141112908
2-(3-chlorophenyl)-1,3-benzoxazole-6-sulfonyl chloride
CID 82358054
N-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
CID 82357533
1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357642
3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid
CID 81434008
4-(1,3-benzodioxol-5-yl)-2-chloro-5-(3-chlorophenyl)-1,3-oxazole
CID 21409146
5-chloro-2-(3-pyrrol-1-ylphenyl)-1,3-benzoxazole
CID 91677456
7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 94980359
2-(3-chlorophenyl)-6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole
CID 46088966

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole?
The IUPAC name of 6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole (CID 140533892) is 6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole.
What is the SMILES notation for 6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole?
The canonical SMILES for 6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole is Clc1cccc(-c2nc3cc4c(cc3o2)OCO4)c1.
What is the InChIKey of 6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole?
The InChIKey is YTJGMVHZALPOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3/c15-9-3-1-2-8(4-9)14-16-10-5-12-13(18-7-17-12)6-11(10)19-14/h1-6H,7H2.
What are the key properties of 6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole?
6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole has a molecular weight of 273.68 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole is sourced from PubChem (CID 140533892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).