(1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline

C24H20N2O3S — CID 11711386

IUPAC(1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline
SMILESO=S(=O)(c1ccccc1)[C@@H]1CON2C(/C=C/c3ccccc3)=Nc3ccccc3[C@@H]12
InChIInChI=1S/C24H20N2O3S/c27-30(28,19-11-5-2-6-12-19)22-17-29-26-23(16-15-18-9-3-1-4-10-18)25-21-14-8-7-13-20(21)24(22)26/h1-16,22,24H,17H2/b16-15+/t22-,24+/m1/s1
InChIKeyMDYNATSYWQRDJX-ZMNDGBDXSA-N
MW416.50 g/mol
LogP4.57
Rot. Bonds4

About (1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline

(1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline (PubChem CID 11711386) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is (1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline.

Molecular Properties

Compound Name(1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline
PubChem CID11711386
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC Name(1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline
SMILESO=S(=O)(c1ccccc1)[C@@H]1CON2C(/C=C/c3ccccc3)=Nc3ccccc3[C@@H]12
InChIInChI=1S/C24H20N2O3S/c27-30(28,19-11-5-2-6-12-19)22-17-29-26-23(16-15-18-9-3-1-4-10-18)25-21-14-8-7-13-20(21)24(22)26/h1-16,22,24H,17H2/b16-15+/t22-,24+/m1/s1
InChIKeyMDYNATSYWQRDJX-ZMNDGBDXSA-N
XLogP4.57
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline?
The IUPAC name of (1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline (CID 11711386) is (1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline.
What is the SMILES notation for (1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline?
The canonical SMILES for (1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline is O=S(=O)(c1ccccc1)[C@@H]1CON2C(/C=C/c3ccccc3)=Nc3ccccc3[C@@H]12.
What is the InChIKey of (1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline?
The InChIKey is MDYNATSYWQRDJX-ZMNDGBDXSA-N. The full InChI is InChI=1S/C24H20N2O3S/c27-30(28,19-11-5-2-6-12-19)22-17-29-26-23(16-15-18-9-3-1-4-10-18)25-21-14-8-7-13-20(21)24(22)26/h1-16,22,24H,17H2/b16-15+/t22-,24+/m1/s1.
What are the key properties of (1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline?
(1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline has a molecular weight of 416.50 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline is sourced from PubChem (CID 11711386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).