3-[(5R,10bS)-9-chloro-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol

C20H15ClN2O3 — CID 11932164

IUPAC3-[(5R,10bS)-9-chloro-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol
SMILESOc1cccc(C2=NN3[C@@H](c4ccco4)Oc4ccc(Cl)cc4[C@@H]3C2)c1
InChIInChI=1S/C20H15ClN2O3/c21-13-6-7-18-15(10-13)17-11-16(12-3-1-4-14(24)9-12)22-23(17)20(26-18)19-5-2-8-25-19/h1-10,17,20,24H,11H2/t17-,20+/m0/s1
InChIKeyHRPLUBCGJLYOOW-FXAWDEMLSA-N
MW366.80 g/mol
LogP4.88
Rot. Bonds2

About 3-[(5R,10bS)-9-chloro-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol

3-[(5R,10bS)-9-chloro-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol (PubChem CID 11932164) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is 3-[(5R,10bS)-9-chloro-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol.

Molecular Properties

Compound Name3-[(5R,10bS)-9-chloro-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol
PubChem CID11932164
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC Name3-[(5R,10bS)-9-chloro-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol
SMILESOc1cccc(C2=NN3[C@@H](c4ccco4)Oc4ccc(Cl)cc4[C@@H]3C2)c1
InChIInChI=1S/C20H15ClN2O3/c21-13-6-7-18-15(10-13)17-11-16(12-3-1-4-14(24)9-12)22-23(17)20(26-18)19-5-2-8-25-19/h1-10,17,20,24H,11H2/t17-,20+/m0/s1
InChIKeyHRPLUBCGJLYOOW-FXAWDEMLSA-N
XLogP4.88
TPSA58.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(5R,10bS)-9-chloro-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol with MolForge

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Related Compounds

2-[9-bromo-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-chlorophenol
CID 135760473
2-[(5S,10bS)-9-chloro-2-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-4-chlorophenol
CID 92836298
3-[7-ethoxy-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol
CID 18585252
(5S,10bS)-9-chloro-5-(2,4-dichlorophenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42497939
2-[(5R,10bS)-9-bromo-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol
CID 135901315
9-chloro-2-(furan-2-yl)-5-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3267518
2-[(5S,10bS)-9-chloro-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-4-chlorophenol
CID 92836977
2-[(5S,10bS)-9-bromo-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol
CID 136698614
(5R,10bR)-9-chloro-2,5-bis(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42453472
4-[(5S,10bS)-9-chloro-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol
CID 136698642
9-chloro-5-(3-fluorophenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 44726183
(5S,10bS)-9-chloro-2-(3-methoxyphenyl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 124825144

Frequently Asked Questions

What is the IUPAC name of 3-[(5R,10bS)-9-chloro-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol?
The IUPAC name of 3-[(5R,10bS)-9-chloro-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol (CID 11932164) is 3-[(5R,10bS)-9-chloro-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol.
What is the SMILES notation for 3-[(5R,10bS)-9-chloro-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol?
The canonical SMILES for 3-[(5R,10bS)-9-chloro-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol is Oc1cccc(C2=NN3[C@@H](c4ccco4)Oc4ccc(Cl)cc4[C@@H]3C2)c1.
What is the InChIKey of 3-[(5R,10bS)-9-chloro-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol?
The InChIKey is HRPLUBCGJLYOOW-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c21-13-6-7-18-15(10-13)17-11-16(12-3-1-4-14(24)9-12)22-23(17)20(26-18)19-5-2-8-25-19/h1-10,17,20,24H,11H2/t17-,20+/m0/s1.
What are the key properties of 3-[(5R,10bS)-9-chloro-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol?
3-[(5R,10bS)-9-chloro-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol has a molecular weight of 366.80 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5R,10bS)-9-chloro-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol is sourced from PubChem (CID 11932164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).