1,3-dihydroisoindol-2-yl-(5-propan-2-yl-1,2-benzoxazol-7-yl)methanone

C19H18N2O2 — CID 142402322

IUPAC1,3-dihydroisoindol-2-yl-(5-propan-2-yl-1,2-benzoxazol-7-yl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccccc3C2)c2oncc2c1
InChIInChI=1S/C19H18N2O2/c1-12(2)15-7-16-9-20-23-18(16)17(8-15)19(22)21-10-13-5-3-4-6-14(13)11-21/h3-9,12H,10-11H2,1-2H3
InChIKeyGAZMUJPUZPZDFC-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.11
Rot. Bonds2

About 1,3-dihydroisoindol-2-yl-(5-propan-2-yl-1,2-benzoxazol-7-yl)methanone

1,3-dihydroisoindol-2-yl-(5-propan-2-yl-1,2-benzoxazol-7-yl)methanone (PubChem CID 142402322) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-(5-propan-2-yl-1,2-benzoxazol-7-yl)methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-(5-propan-2-yl-1,2-benzoxazol-7-yl)methanone
PubChem CID142402322
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1,3-dihydroisoindol-2-yl-(5-propan-2-yl-1,2-benzoxazol-7-yl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccccc3C2)c2oncc2c1
InChIInChI=1S/C19H18N2O2/c1-12(2)15-7-16-9-20-23-18(16)17(8-15)19(22)21-10-13-5-3-4-6-14(13)11-21/h3-9,12H,10-11H2,1-2H3
InChIKeyGAZMUJPUZPZDFC-UHFFFAOYSA-N
XLogP4.11
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone
CID 137287276
(5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 113232778
(5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone
CID 135228464
(5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62231556
(2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 55049058
(5-amino-1-methylpyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 113288574
(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110472967
methyl 2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate
CID 136557671
1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone
CID 70719076
1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone
CID 71108646
1,4-bis(1,3-dihydroisoindol-2-yl)-2,3-dimethylbutane-1,4-dione
CID 119035210
1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81255936

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-(5-propan-2-yl-1,2-benzoxazol-7-yl)methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-(5-propan-2-yl-1,2-benzoxazol-7-yl)methanone (CID 142402322) is 1,3-dihydroisoindol-2-yl-(5-propan-2-yl-1,2-benzoxazol-7-yl)methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-(5-propan-2-yl-1,2-benzoxazol-7-yl)methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-(5-propan-2-yl-1,2-benzoxazol-7-yl)methanone is CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c2oncc2c1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-(5-propan-2-yl-1,2-benzoxazol-7-yl)methanone?
The InChIKey is GAZMUJPUZPZDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12(2)15-7-16-9-20-23-18(16)17(8-15)19(22)21-10-13-5-3-4-6-14(13)11-21/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 1,3-dihydroisoindol-2-yl-(5-propan-2-yl-1,2-benzoxazol-7-yl)methanone?
1,3-dihydroisoindol-2-yl-(5-propan-2-yl-1,2-benzoxazol-7-yl)methanone has a molecular weight of 306.37 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-(5-propan-2-yl-1,2-benzoxazol-7-yl)methanone is sourced from PubChem (CID 142402322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).