6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone

C19H24N4O2 — CID 71789354

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H24N4O2/c24-19(17-15-18-23(20-17)8-4-14-25-18)22-12-10-21(11-13-22)9-7-16-5-2-1-3-6-16/h1-3,5-6,15H,4,7-14H2
InChIKeyVPQWYQGVPDZCTC-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.67
Rot. Bonds4

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 71789354) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID71789354
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H24N4O2/c24-19(17-15-18-23(20-17)8-4-14-25-18)22-12-10-21(11-13-22)9-7-16-5-2-1-3-6-16/h1-3,5-6,15H,4,7-14H2
InChIKeyVPQWYQGVPDZCTC-UHFFFAOYSA-N
XLogP1.67
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 71789358
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 71789289
N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 97104398
[4-(3-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
CID 90536757
N-benzyl-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536728
[4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone
CID 51347159
N-benzyl-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536729
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate
CID 90536745
N-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536815
N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959265
2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 91959892
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 71789407

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 71789354) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone is O=C(c1cc2n(n1)CCCO2)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is VPQWYQGVPDZCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(17-15-18-23(20-17)8-4-14-25-18)22-12-10-21(11-13-22)9-7-16-5-2-1-3-6-16/h1-3,5-6,15H,4,7-14H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71789354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).