2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]

C18H18N2OS — CID 3121939

IUPAC2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
SMILESc1csc(C2=NN3C(C2)c2ccccc2OC32CCCC2)c1
InChIInChI=1S/C18H18N2OS/c1-2-7-16-13(6-1)15-12-14(17-8-5-11-22-17)19-20(15)18(21-16)9-3-4-10-18/h1-2,5-8,11,15H,3-4,9-10,12H2
InChIKeyOFEZFEKKERIMKE-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.56
Rot. Bonds1

About 2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]

2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane] (PubChem CID 3121939) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane].

Molecular Properties

Compound Name2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
PubChem CID3121939
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
SMILESc1csc(C2=NN3C(C2)c2ccccc2OC32CCCC2)c1
InChIInChI=1S/C18H18N2OS/c1-2-7-16-13(6-1)15-12-14(17-8-5-11-22-17)19-20(15)18(21-16)9-3-4-10-18/h1-2,5-8,11,15H,3-4,9-10,12H2
InChIKeyOFEZFEKKERIMKE-UHFFFAOYSA-N
XLogP4.56
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]?
The IUPAC name of 2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane] (CID 3121939) is 2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane].
What is the SMILES notation for 2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]?
The canonical SMILES for 2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane] is c1csc(C2=NN3C(C2)c2ccccc2OC32CCCC2)c1.
What is the InChIKey of 2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]?
The InChIKey is OFEZFEKKERIMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-2-7-16-13(6-1)15-12-14(17-8-5-11-22-17)19-20(15)18(21-16)9-3-4-10-18/h1-2,5-8,11,15H,3-4,9-10,12H2.
What are the key properties of 2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]?
2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane] has a molecular weight of 310.42 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane] is sourced from PubChem (CID 3121939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).