7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C22H20N2O3S — CID 4279144

IUPAC7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1ccc(C2Oc3c(OC)cccc3C3CC(c4cccs4)=NN32)cc1
InChIInChI=1S/C22H20N2O3S/c1-25-15-10-8-14(9-11-15)22-24-18(13-17(23-24)20-7-4-12-28-20)16-5-3-6-19(26-2)21(16)27-22/h3-12,18,22H,13H2,1-2H3
InChIKeyWBBLBUPSKKZWNW-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.01
Rot. Bonds4

About 7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 4279144) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID4279144
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1ccc(C2Oc3c(OC)cccc3C3CC(c4cccs4)=NN32)cc1
InChIInChI=1S/C22H20N2O3S/c1-25-15-10-8-14(9-11-15)22-24-18(13-17(23-24)20-7-4-12-28-20)16-5-3-6-19(26-2)21(16)27-22/h3-12,18,22H,13H2,1-2H3
InChIKeyWBBLBUPSKKZWNW-UHFFFAOYSA-N
XLogP5.01
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
4-Phenyl-2-thiophen-2-yl-1,9b-dihydro-5-oxa-3,3a-diaza-cyclopenta[a]naphthalene
CID 3121948
5-(3-Chlorophenyl)-7-ethoxy-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 16428790
7-Methoxy-5,5-dimethyl-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 3711172
5-(2-Methoxyphenyl)-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 4551439
2-Ethoxy-6-[2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
CID 2922210
2-Thien-2-yl-1,10b-dihydrospiro(pyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane)
CID 3121939
4-[2-(Thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzene-1,3-diol
CID 3152677
2-Methoxy-5-[2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
CID 3538351
2-(Thiophen-2-yl)-5-(2,4,5-trimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 4117829
2-[2-(Thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
CID 4117831

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 4279144) is 7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is COc1ccc(C2Oc3c(OC)cccc3C3CC(c4cccs4)=NN32)cc1.
What is the InChIKey of 7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is WBBLBUPSKKZWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-25-15-10-8-14(9-11-15)22-24-18(13-17(23-24)20-7-4-12-28-20)16-5-3-6-19(26-2)21(16)27-22/h3-12,18,22H,13H2,1-2H3.
What are the key properties of 7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 392.48 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 4279144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).