2-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5-dihydro-1,3-oxazole

C12H14N2O2 — CID 19692001

IUPAC2-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCOc1cccc2c1CN(C1=NCCO1)C2
InChIInChI=1S/C12H14N2O2/c1-15-11-4-2-3-9-7-14(8-10(9)11)12-13-5-6-16-12/h2-4H,5-8H2,1H3
InChIKeyNAUKTAJEODETFG-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.40
Rot. Bonds1

About 2-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5-dihydro-1,3-oxazole

2-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 19692001) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID19692001
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCOc1cccc2c1CN(C1=NCCO1)C2
InChIInChI=1S/C12H14N2O2/c1-15-11-4-2-3-9-7-14(8-10(9)11)12-13-5-6-16-12/h2-4H,5-8H2,1H3
InChIKeyNAUKTAJEODETFG-UHFFFAOYSA-N
XLogP1.40
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5-dihydro-1,3-oxazole (CID 19692001) is 2-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5-dihydro-1,3-oxazole is COc1cccc2c1CN(C1=NCCO1)C2.
What is the InChIKey of 2-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is NAUKTAJEODETFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-15-11-4-2-3-9-7-14(8-10(9)11)12-13-5-6-16-12/h2-4H,5-8H2,1H3.
What are the key properties of 2-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5-dihydro-1,3-oxazole?
2-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 218.26 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19692001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).