7-methoxy-5,5-dimethyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

C17H18N2O2S — CID 3711172

IUPAC7-methoxy-5,5-dimethyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1cccc2c1OC(C)(C)N1N=C(c3cccs3)CC21
InChIInChI=1S/C17H18N2O2S/c1-17(2)19-13(10-12(18-19)15-8-5-9-22-15)11-6-4-7-14(20-3)16(11)21-17/h4-9,13H,10H2,1-3H3
InChIKeyPBHBGCGQAYFOHD-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.04
Rot. Bonds2

About 7-methoxy-5,5-dimethyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

7-methoxy-5,5-dimethyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 3711172) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 7-methoxy-5,5-dimethyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name7-methoxy-5,5-dimethyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
PubChem CID3711172
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name7-methoxy-5,5-dimethyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1cccc2c1OC(C)(C)N1N=C(c3cccs3)CC21
InChIInChI=1S/C17H18N2O2S/c1-17(2)19-13(10-12(18-19)15-8-5-9-22-15)11-6-4-7-14(20-3)16(11)21-17/h4-9,13H,10H2,1-3H3
InChIKeyPBHBGCGQAYFOHD-UHFFFAOYSA-N
XLogP4.04
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-5,5-dimethyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[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

1-(3-(3,4-dimethoxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
CID 2952694
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
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 24892242
5-(3-Chlorophenyl)-7-ethoxy-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 16428790
9-Bromo-5,5-dimethyl-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 3121989
7-Methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 3332365
7'-Methoxy-2'-(3-methoxyphenyl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
CID 3556909
7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4279144
5-(2-Methoxyphenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 4551439

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5,5-dimethyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 7-methoxy-5,5-dimethyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine (CID 3711172) is 7-methoxy-5,5-dimethyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 7-methoxy-5,5-dimethyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 7-methoxy-5,5-dimethyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine is COc1cccc2c1OC(C)(C)N1N=C(c3cccs3)CC21.
What is the InChIKey of 7-methoxy-5,5-dimethyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is PBHBGCGQAYFOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-17(2)19-13(10-12(18-19)15-8-5-9-22-15)11-6-4-7-14(20-3)16(11)21-17/h4-9,13H,10H2,1-3H3.
What are the key properties of 7-methoxy-5,5-dimethyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
7-methoxy-5,5-dimethyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 314.41 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5,5-dimethyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 3711172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).