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

C20H16N2OS — CID 3121948

IUPAC5-phenyl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESc1ccc(C2Oc3ccccc3C3CC(c4cccs4)=NN32)cc1
InChIInChI=1S/C20H16N2OS/c1-2-7-14(8-3-1)20-22-17(15-9-4-5-10-18(15)23-20)13-16(21-22)19-11-6-12-24-19/h1-12,17,20H,13H2
InChIKeyPPEFRUATYSNLBV-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.99
Rot. Bonds2

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

5-phenyl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 3121948) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-phenyl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name5-phenyl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID3121948
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name5-phenyl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESc1ccc(C2Oc3ccccc3C3CC(c4cccs4)=NN32)cc1
InChIInChI=1S/C20H16N2OS/c1-2-7-14(8-3-1)20-22-17(15-9-4-5-10-18(15)23-20)13-16(21-22)19-11-6-12-24-19/h1-12,17,20H,13H2
InChIKeyPPEFRUATYSNLBV-UHFFFAOYSA-N
XLogP4.99
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
9-Chloro-5-isopropyl-2-(2-thienyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
CID 3121966
2,5-Diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 555190
2-Phenyl-5-(propan-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 3121652
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
2'-Phenyl-1',10b'-dihydrospiro[cyclopentane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
CID 3121653
9-Chloro-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
CID 3121967

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 5-phenyl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 3121948) is 5-phenyl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 5-phenyl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 5-phenyl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is c1ccc(C2Oc3ccccc3C3CC(c4cccs4)=NN32)cc1.
What is the InChIKey of 5-phenyl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is PPEFRUATYSNLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-2-7-14(8-3-1)20-22-17(15-9-4-5-10-18(15)23-20)13-16(21-22)19-11-6-12-24-19/h1-12,17,20H,13H2.
What are the key properties of 5-phenyl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
5-phenyl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 332.43 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 3121948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).