[5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone

C18H17N3O3 — CID 118738905

IUPAC[5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone
SMILESCN(C)c1ccc2c(c1)CN(C(=O)c1ccco1)C2c1cnco1
InChIInChI=1S/C18H17N3O3/c1-20(2)13-5-6-14-12(8-13)10-21(17(14)16-9-19-11-24-16)18(22)15-4-3-7-23-15/h3-9,11,17H,10H2,1-2H3
InChIKeyRBCJGGSMVHRDDH-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.08
Rot. Bonds3

About [5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone

[5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone (PubChem CID 118738905) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is [5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone
PubChem CID118738905
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name[5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone
SMILESCN(C)c1ccc2c(c1)CN(C(=O)c1ccco1)C2c1cnco1
InChIInChI=1S/C18H17N3O3/c1-20(2)13-5-6-14-12(8-13)10-21(17(14)16-9-19-11-24-16)18(22)15-4-3-7-23-15/h3-9,11,17H,10H2,1-2H3
InChIKeyRBCJGGSMVHRDDH-UHFFFAOYSA-N
XLogP3.08
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone (CID 118738905) is [5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone is CN(C)c1ccc2c(c1)CN(C(=O)c1ccco1)C2c1cnco1.
What is the InChIKey of [5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone?
The InChIKey is RBCJGGSMVHRDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-20(2)13-5-6-14-12(8-13)10-21(17(14)16-9-19-11-24-16)18(22)15-4-3-7-23-15/h3-9,11,17H,10H2,1-2H3.
What are the key properties of [5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone?
[5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone has a molecular weight of 323.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylamino)-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 118738905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).