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

C15H16N2O2 — CID 137408050

IUPAC1-[(4S)-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one
SMILESCCC(=O)c1cc2n(n1)CCO[C@H]2c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-2-14(18)12-10-13-15(11-6-4-3-5-7-11)19-9-8-17(13)16-12/h3-7,10,15H,2,8-9H2,1H3/t15-/m0/s1
InChIKeyMMAQBOVBDLUDFG-HNNXBMFYSA-N
MW256.31 g/mol
LogP2.60
Rot. Bonds3

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

1-[(4S)-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one (PubChem CID 137408050) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[(4S)-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(4S)-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one
PubChem CID137408050
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-[(4S)-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one
SMILESCCC(=O)c1cc2n(n1)CCO[C@H]2c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-2-14(18)12-10-13-15(11-6-4-3-5-7-11)19-9-8-17(13)16-12/h3-7,10,15H,2,8-9H2,1H3/t15-/m0/s1
InChIKeyMMAQBOVBDLUDFG-HNNXBMFYSA-N
XLogP2.60
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

CID 153353900
CID 153353900
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CID 134563896
1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one
CID 134577434
1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one
CID 110728423
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CID 58592489
1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one
CID 175131746
2-bromo-1-(2-phenylmorpholin-4-yl)butan-1-one
CID 62855050
1-[(2R,3S)-3-methyl-2-phenylmorpholin-4-yl]-4-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]butane-1,4-dione
CID 40782270
[2-(2-propanoyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxan-4-yl]carbamic acid
CID 71074210
butanedioic acid;(2S,3S)-3,4-dimethyl-2-phenylmorpholine
CID 76960510
2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 55039477
N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 154819814

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one?
The IUPAC name of 1-[(4S)-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one (CID 137408050) is 1-[(4S)-4-phenyl-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-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one?
The canonical SMILES for 1-[(4S)-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one is CCC(=O)c1cc2n(n1)CCO[C@H]2c1ccccc1.
What is the InChIKey of 1-[(4S)-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one?
The InChIKey is MMAQBOVBDLUDFG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-14(18)12-10-13-15(11-6-4-3-5-7-11)19-9-8-17(13)16-12/h3-7,10,15H,2,8-9H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(4S)-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one?
1-[(4S)-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one has a molecular weight of 256.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one is sourced from PubChem (CID 137408050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).