5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C21H18N2O2S — CID 4551439

IUPAC5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1ccccc1C1Oc2ccccc2C2CC(c3cccs3)=NN21
InChIInChI=1S/C21H18N2O2S/c1-24-18-9-4-3-8-15(18)21-23-17(14-7-2-5-10-19(14)25-21)13-16(22-23)20-11-6-12-26-20/h2-12,17,21H,13H2,1H3
InChIKeyOBQVWYLPVNCYNB-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.00
Rot. Bonds3

About 5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 4551439) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID4551439
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1ccccc1C1Oc2ccccc2C2CC(c3cccs3)=NN21
InChIInChI=1S/C21H18N2O2S/c1-24-18-9-4-3-8-15(18)21-23-17(14-7-2-5-10-19(14)25-21)13-16(22-23)20-11-6-12-26-20/h2-12,17,21H,13H2,1H3
InChIKeyOBQVWYLPVNCYNB-UHFFFAOYSA-N
XLogP5.00
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-Methoxyphenyl)-5-(2-thienyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
CID 3121935
5-(3-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3900407
9-Chloro-5-isopropyl-2-(2-thienyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
CID 3121966
4-Phenyl-2-thiophen-2-yl-1,9b-dihydro-5-oxa-3,3a-diaza-cyclopenta[a]naphthalene
CID 3121948
5-(5-Nitro-2-thienyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 633185
3-(2-Ethoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 2963402
phenyl-(2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanone
CID 3121944
9'-Bromo-1-methyl-2'-(2-thienyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
CID 3410378
5-(3-Chlorophenyl)-7-ethoxy-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 16428790
9-Chloro-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
CID 3121967
9-Bromo-5,5-dimethyl-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 3121989
9-Bromo-2-(thiophen-2-YL)-1,10B-dihydrospiro[benzo[E]pyrazolo[1,5-C][1,3]oxazine-5,1'-cyclopentane]
CID 3121991

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 4551439) is 5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is COc1ccccc1C1Oc2ccccc2C2CC(c3cccs3)=NN21.
What is the InChIKey of 5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is OBQVWYLPVNCYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-24-18-9-4-3-8-15(18)21-23-17(14-7-2-5-10-19(14)25-21)13-16(22-23)20-11-6-12-26-20/h2-12,17,21H,13H2,1H3.
What are the key properties of 5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 362.45 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 4551439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).