[(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol

C13H14N2O2 — CID 129497525

IUPAC[(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol
SMILESOCc1cc2n(n1)C[C@H](c1ccccc1)OC2
InChIInChI=1S/C13H14N2O2/c16-8-11-6-12-9-17-13(7-15(12)14-11)10-4-2-1-3-5-10/h1-6,13,16H,7-9H2/t13-/m1/s1
InChIKeyNWUHNOPSVVGKRD-CYBMUJFWSA-N
MW230.27 g/mol
LogP1.65
Rot. Bonds2

About [(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol

[(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol (PubChem CID 129497525) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is [(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol.

Molecular Properties

Compound Name[(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol
PubChem CID129497525
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name[(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol
SMILESOCc1cc2n(n1)C[C@H](c1ccccc1)OC2
InChIInChI=1S/C13H14N2O2/c16-8-11-6-12-9-17-13(7-15(12)14-11)10-4-2-1-3-5-10/h1-6,13,16H,7-9H2/t13-/m1/s1
InChIKeyNWUHNOPSVVGKRD-CYBMUJFWSA-N
XLogP1.65
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol with MolForge

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Related Compounds

(6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 125127222
(6S)-6-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125128971
6-phenyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 91889908
[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]methanol
CID 129497058
[(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine
CID 129498365
(6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99744913
6-phenyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 91889884
(6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 125128055
(6R)-2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125128784
(6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine
CID 121204792
6-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889818
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 91889892

Frequently Asked Questions

What is the IUPAC name of [(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol?
The IUPAC name of [(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol (CID 129497525) is [(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol.
What is the SMILES notation for [(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol?
The canonical SMILES for [(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol is OCc1cc2n(n1)C[C@H](c1ccccc1)OC2.
What is the InChIKey of [(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol?
The InChIKey is NWUHNOPSVVGKRD-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-8-11-6-12-9-17-13(7-15(12)14-11)10-4-2-1-3-5-10/h1-6,13,16H,7-9H2/t13-/m1/s1.
What are the key properties of [(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol?
[(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol has a molecular weight of 230.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol is sourced from PubChem (CID 129497525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).