1-[(4S)-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one

C15H15FN2O2 — CID 137408176

IUPAC1-[(4S)-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one
SMILESCCC(=O)c1cc2n(n1)CCO[C@H]2c1ccccc1F
InChIInChI=1S/C15H15FN2O2/c1-2-14(19)12-9-13-15(20-8-7-18(13)17-12)10-5-3-4-6-11(10)16/h3-6,9,15H,2,7-8H2,1H3/t15-/m0/s1
InChIKeyJLUSKXSRUBDULB-HNNXBMFYSA-N
MW274.30 g/mol
LogP2.73
Rot. Bonds3

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

1-[(4S)-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one (PubChem CID 137408176) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-[(4S)-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(4S)-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one
PubChem CID137408176
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-[(4S)-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one
SMILESCCC(=O)c1cc2n(n1)CCO[C@H]2c1ccccc1F
InChIInChI=1S/C15H15FN2O2/c1-2-14(19)12-9-13-15(20-8-7-18(13)17-12)10-5-3-4-6-11(10)16/h3-6,9,15H,2,7-8H2,1H3/t15-/m0/s1
InChIKeyJLUSKXSRUBDULB-HNNXBMFYSA-N
XLogP2.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one?
The IUPAC name of 1-[(4S)-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one (CID 137408176) is 1-[(4S)-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one.
What is the SMILES notation for 1-[(4S)-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one?
The canonical SMILES for 1-[(4S)-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one is CCC(=O)c1cc2n(n1)CCO[C@H]2c1ccccc1F.
What is the InChIKey of 1-[(4S)-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one?
The InChIKey is JLUSKXSRUBDULB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-2-14(19)12-9-13-15(20-8-7-18(13)17-12)10-5-3-4-6-11(10)16/h3-6,9,15H,2,7-8H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(4S)-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one?
1-[(4S)-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one has a molecular weight of 274.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one is sourced from PubChem (CID 137408176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).