6-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-2,3-dihydroisoindol-1-one

C18H14ClN3O2 — CID 100631156

IUPAC6-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(NCc3ncc(-c4ccccc4Cl)o3)cc21
InChIInChI=1S/C18H14ClN3O2/c19-15-4-2-1-3-13(15)16-9-21-17(24-16)10-20-12-6-5-11-8-22-18(23)14(11)7-12/h1-7,9,20H,8,10H2,(H,22,23)
InChIKeyIFUUZEYSCIMNTL-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.85
Rot. Bonds4

About 6-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-2,3-dihydroisoindol-1-one

6-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-2,3-dihydroisoindol-1-one (PubChem CID 100631156) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 6-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-2,3-dihydroisoindol-1-one
PubChem CID100631156
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name6-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(NCc3ncc(-c4ccccc4Cl)o3)cc21
InChIInChI=1S/C18H14ClN3O2/c19-15-4-2-1-3-13(15)16-9-21-17(24-16)10-20-12-6-5-11-8-22-18(23)14(11)7-12/h1-7,9,20H,8,10H2,(H,22,23)
InChIKeyIFUUZEYSCIMNTL-UHFFFAOYSA-N
XLogP3.85
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-2,3-dihydroisoindol-1-one (CID 100631156) is 6-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-2,3-dihydroisoindol-1-one is O=C1NCc2ccc(NCc3ncc(-c4ccccc4Cl)o3)cc21.
What is the InChIKey of 6-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-2,3-dihydroisoindol-1-one?
The InChIKey is IFUUZEYSCIMNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-15-4-2-1-3-13(15)16-9-21-17(24-16)10-20-12-6-5-11-8-22-18(23)14(11)7-12/h1-7,9,20H,8,10H2,(H,22,23).
What are the key properties of 6-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-2,3-dihydroisoindol-1-one?
6-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-2,3-dihydroisoindol-1-one has a molecular weight of 339.78 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 100631156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).