5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole

C15H10Cl2N2O — CID 107676012

IUPAC5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole
SMILESClc1cc(Cl)c2oc(-c3ccc4c(c3)NCC4)nc2c1
InChIInChI=1S/C15H10Cl2N2O/c16-10-6-11(17)14-13(7-10)19-15(20-14)9-2-1-8-3-4-18-12(8)5-9/h1-2,5-7,18H,3-4H2
InChIKeyUEWXBYDTBVZXNO-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.77
Rot. Bonds1

About 5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole

5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole (PubChem CID 107676012) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole
PubChem CID107676012
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole
SMILESClc1cc(Cl)c2oc(-c3ccc4c(c3)NCC4)nc2c1
InChIInChI=1S/C15H10Cl2N2O/c16-10-6-11(17)14-13(7-10)19-15(20-14)9-2-1-8-3-4-18-12(8)5-9/h1-2,5-7,18H,3-4H2
InChIKeyUEWXBYDTBVZXNO-UHFFFAOYSA-N
XLogP4.77
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole
CID 94980518
4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenol
CID 136658117
5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 736272
7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole
CID 81421258
3-(5,7-dichloro-1,3-benzoxazol-2-yl)benzaldehyde
CID 50850274
methyl 2-chloro-4-(5,7-dichloro-1,3-benzoxazol-2-yl)benzoate
CID 50850835
6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole
CID 59435381
5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 113382399
3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole
CID 113382393
[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone
CID 50850765
5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790172
7-chloro-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
CID 135409255

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole?
The IUPAC name of 5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole (CID 107676012) is 5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole.
What is the SMILES notation for 5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole?
The canonical SMILES for 5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole is Clc1cc(Cl)c2oc(-c3ccc4c(c3)NCC4)nc2c1.
What is the InChIKey of 5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole?
The InChIKey is UEWXBYDTBVZXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-10-6-11(17)14-13(7-10)19-15(20-14)9-2-1-8-3-4-18-12(8)5-9/h1-2,5-7,18H,3-4H2.
What are the key properties of 5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole?
5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole has a molecular weight of 305.16 g/mol, XLogP of 4.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole is sourced from PubChem (CID 107676012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).