2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

C12H11FN2O — CID 67438408

IUPAC2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESFc1ccc(-c2cc3n(n2)CCOC3)cc1
InChIInChI=1S/C12H11FN2O/c13-10-3-1-9(2-4-10)12-7-11-8-16-6-5-15(11)14-12/h1-4,7H,5-6,8H2
InChIKeyRSRMVDDXXKWVFV-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.22
Rot. Bonds1

About 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 67438408) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID67438408
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESFc1ccc(-c2cc3n(n2)CCOC3)cc1
InChIInChI=1S/C12H11FN2O/c13-10-3-1-9(2-4-10)12-7-11-8-16-6-5-15(11)14-12/h1-4,7H,5-6,8H2
InChIKeyRSRMVDDXXKWVFV-UHFFFAOYSA-N
XLogP2.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cizolirtine
CID 132412
1H-Pyrazole-1-ethanol, 3,5-dimethyl-alpha-phenyl-, 1-acetate
CID 658211
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
CID 50832540
4-(4-Tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole
CID 56965285
Cizolirtine, (+)-
CID 3037765
(7Z)-7-benzylidene-3-phenyl-1-propyl-4H-pyrano[3,4-d]pyrazole
CID 12532320
2-[(4-Fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone
CID 45488337
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 50832705
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one
CID 50832717
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 50832730
3-[(2-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018267
2-({6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}thio)-N-(2-methylphenyl)acetamide
CID 53018349

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CID 67438408) is 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is Fc1ccc(-c2cc3n(n2)CCOC3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is RSRMVDDXXKWVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-10-3-1-9(2-4-10)12-7-11-8-16-6-5-15(11)14-12/h1-4,7H,5-6,8H2.
What are the key properties of 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 218.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 67438408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).