2-(1,3-dihydroisoindol-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole

C24H19N3O — CID 68656656

IUPAC2-(1,3-dihydroisoindol-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
SMILESCn1ccc2cc(-c3ccc4oc(N5Cc6ccccc6C5)nc4c3)ccc21
InChIInChI=1S/C24H19N3O/c1-26-11-10-18-12-16(6-8-22(18)26)17-7-9-23-21(13-17)25-24(28-23)27-14-19-4-2-3-5-20(19)15-27/h2-13H,14-15H2,1H3
InChIKeyJSDIANPKQMJBEW-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.51
Rot. Bonds2

About 2-(1,3-dihydroisoindol-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole

2-(1,3-dihydroisoindol-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole (PubChem CID 68656656) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
PubChem CID68656656
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
SMILESCn1ccc2cc(-c3ccc4oc(N5Cc6ccccc6C5)nc4c3)ccc21
InChIInChI=1S/C24H19N3O/c1-26-11-10-18-12-16(6-8-22(18)26)17-7-9-23-21(13-17)25-24(28-23)27-14-19-4-2-3-5-20(19)15-27/h2-13H,14-15H2,1H3
InChIKeyJSDIANPKQMJBEW-UHFFFAOYSA-N
XLogP5.51
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ontazolast
CID 71458
N-(2-cyclohexyl-1-pyridin-2-ylethyl)-5-methyl-1,3-benzoxazol-2-amine
CID 6916044
N-[(1R)-2-cyclohexyl-1-pyridin-2-ylethyl]-5-methyl-1,3-benzoxazol-2-amine
CID 9862559
N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide
CID 15603614
Benzoxazole derivative 1
CID 45109843
1-((1H-indol-4-yl)methyl)-9-(benzo[d]oxazol-2-yl)-1,9-diazaspiro[5.5]undecan-2-one
CID 53259635
N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 10022345
N-(2-cyclohexyl-1-pyridin-4-ylethyl)-5-methyl-1,3-benzoxazol-2-amine
CID 10382325
N-(2-cyclohexyl-1-pyridin-3-ylethyl)-5-methyl-1,3-benzoxazol-2-amine
CID 10427091
N-butyl-4-pyridin-4-yl-N-[(1R)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]-1,3-benzoxazol-2-amine
CID 162652190
N-butyl-4-(1-methylpyrrol-2-yl)-N-[(1R)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]-1,3-benzoxazol-2-amine
CID 162663355
N-butyl-4-pyridin-2-yl-N-[(1R)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]-1,3-benzoxazol-2-amine
CID 162677428

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole (CID 68656656) is 2-(1,3-dihydroisoindol-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole is Cn1ccc2cc(-c3ccc4oc(N5Cc6ccccc6C5)nc4c3)ccc21.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole?
The InChIKey is JSDIANPKQMJBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-26-11-10-18-12-16(6-8-22(18)26)17-7-9-23-21(13-17)25-24(28-23)27-14-19-4-2-3-5-20(19)15-27/h2-13H,14-15H2,1H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole?
2-(1,3-dihydroisoindol-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole has a molecular weight of 365.44 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 68656656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).