1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one

C18H22N4O3 — CID 85481386

IUPAC1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC2NNC(c3ccno3)C2C1
InChIInChI=1S/C18H22N4O3/c23-17(8-11-24-13-4-2-1-3-5-13)22-10-7-15-14(12-22)18(21-20-15)16-6-9-19-25-16/h1-6,9,14-15,18,20-21H,7-8,10-12H2
InChIKeyBJTPXYUNYWFABW-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.51
Rot. Bonds5

About 1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one

1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one (PubChem CID 85481386) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one
PubChem CID85481386
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC2NNC(c3ccno3)C2C1
InChIInChI=1S/C18H22N4O3/c23-17(8-11-24-13-4-2-1-3-5-13)22-10-7-15-14(12-22)18(21-20-15)16-6-9-19-25-16/h1-6,9,14-15,18,20-21H,7-8,10-12H2
InChIKeyBJTPXYUNYWFABW-UHFFFAOYSA-N
XLogP1.51
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119410911
1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one
CID 75259178
1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-3-phenoxypropan-1-one
CID 50983338
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 125024614
1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110441101
1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one
CID 81458301
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124947678
1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110711034
1-[(2R,3aR,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-3-phenoxypropan-1-one
CID 124831614
1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 119376198

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one (CID 85481386) is 1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)N1CCC2NNC(c3ccno3)C2C1.
What is the InChIKey of 1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one?
The InChIKey is BJTPXYUNYWFABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17(8-11-24-13-4-2-1-3-5-13)22-10-7-15-14(12-22)18(21-20-15)16-6-9-19-25-16/h1-6,9,14-15,18,20-21H,7-8,10-12H2.
What are the key properties of 1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one?
1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one has a molecular weight of 342.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 85481386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).