(4S)-4-methoxy-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one

C18H15N3O3 — CID 67466151

IUPAC(4S)-4-methoxy-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCO[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C18H15N3O3/c1-23-15-10-16(22)20-21-17(15)12-7-8-13-14(9-12)24-18(19-13)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyYBQLQSNCVDNNSK-HNNXBMFYSA-N
MW321.34 g/mol
LogP2.73
Rot. Bonds3

About (4S)-4-methoxy-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one

(4S)-4-methoxy-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 67466151) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is (4S)-4-methoxy-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(4S)-4-methoxy-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID67466151
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name(4S)-4-methoxy-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCO[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C18H15N3O3/c1-23-15-10-16(22)20-21-17(15)12-7-8-13-14(9-12)24-18(19-13)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyYBQLQSNCVDNNSK-HNNXBMFYSA-N
XLogP2.73
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-4-methoxy-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one 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 (4S)-4-methoxy-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (4S)-4-methoxy-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one (CID 67466151) is (4S)-4-methoxy-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (4S)-4-methoxy-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (4S)-4-methoxy-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one is CO[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1.
What is the InChIKey of (4S)-4-methoxy-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is YBQLQSNCVDNNSK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-23-15-10-16(22)20-21-17(15)12-7-8-13-14(9-12)24-18(19-13)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (4S)-4-methoxy-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one?
(4S)-4-methoxy-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 321.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxy-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 67466151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).