1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone

C19H18N2O3 — CID 137287276

IUPAC1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2cnoc12
InChIInChI=1S/C19H18N2O3/c1-11(2)14-7-15(17(22)16-8-20-24-18(14)16)19(23)21-9-12-5-3-4-6-13(12)10-21/h3-8,11,22H,9-10H2,1-2H3
InChIKeyMFZKTINXWPQHBG-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.81
Rot. Bonds2

About 1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone

1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone (PubChem CID 137287276) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone
PubChem CID137287276
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2cnoc12
InChIInChI=1S/C19H18N2O3/c1-11(2)14-7-15(17(22)16-8-20-24-18(14)16)19(23)21-9-12-5-3-4-6-13(12)10-21/h3-8,11,22H,9-10H2,1-2H3
InChIKeyMFZKTINXWPQHBG-UHFFFAOYSA-N
XLogP3.81
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dihydroisoindol-2-yl-(5-propan-2-yl-1,2-benzoxazol-7-yl)methanone
CID 142402322
6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one
CID 156596218
N-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide
CID 156596198
1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone
CID 135223403
1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone
CID 71108646
1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone
CID 11955507
(5-amino-1-methylpyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 113288574
(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;ethane
CID 176552228
(4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 15942376
(5-tert-butyl-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
CID 176552490
(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110472967
[4-(bromomethyl)-2-hydroxy-5-(2-methylpropyl)phenyl]-(1,3-dihydroisoindol-2-yl)methanone
CID 156596190

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone (CID 137287276) is 1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone is CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)c2cnoc12.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone?
The InChIKey is MFZKTINXWPQHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-11(2)14-7-15(17(22)16-8-20-24-18(14)16)19(23)21-9-12-5-3-4-6-13(12)10-21/h3-8,11,22H,9-10H2,1-2H3.
What are the key properties of 1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone?
1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone has a molecular weight of 322.36 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone is sourced from PubChem (CID 137287276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).