1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone

C17H16N4O3 — CID 90560162

IUPAC1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccno1)N1CCC(Oc2nncc3ccccc23)CC1
InChIInChI=1S/C17H16N4O3/c22-17(15-5-8-19-24-15)21-9-6-13(7-10-21)23-16-14-4-2-1-3-12(14)11-18-20-16/h1-5,8,11,13H,6-7,9-10H2
InChIKeyIDLYIWDOQXULIA-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.30
Rot. Bonds3

About 1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone

1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone (PubChem CID 90560162) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
PubChem CID90560162
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccno1)N1CCC(Oc2nncc3ccccc23)CC1
InChIInChI=1S/C17H16N4O3/c22-17(15-5-8-19-24-15)21-9-6-13(7-10-21)23-16-14-4-2-1-3-12(14)11-18-20-16/h1-5,8,11,13H,6-7,9-10H2
InChIKeyIDLYIWDOQXULIA-UHFFFAOYSA-N
XLogP2.30
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone
CID 90560342
(2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560366
(2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 121127202
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 71799430
(2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560263
3-cyclohexyl-1-(4-phthalazin-1-yloxypiperidin-1-yl)propan-1-one
CID 90560236
N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide
CID 90560452
4-phthalazin-1-yloxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90560454
(2-chloro-5-nitrophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560291
3-(benzenesulfonyl)-1-(4-phthalazin-1-yloxypiperidin-1-yl)propan-1-one
CID 90560390
1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione
CID 90560341
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560415

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
The IUPAC name of 1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone (CID 90560162) is 1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
The canonical SMILES for 1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone is O=C(c1ccno1)N1CCC(Oc2nncc3ccccc23)CC1.
What is the InChIKey of 1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
The InChIKey is IDLYIWDOQXULIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-17(15-5-8-19-24-15)21-9-6-13(7-10-21)23-16-14-4-2-1-3-12(14)11-18-20-16/h1-5,8,11,13H,6-7,9-10H2.
What are the key properties of 1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone?
1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone has a molecular weight of 324.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90560162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).