3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

C18H20N4O4 — CID 90650176

IUPAC3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCCC(O)c1cc2n(n1)CCN(C(=O)Cn1c(=O)oc3ccccc31)C2
InChIInChI=1S/C18H20N4O4/c1-2-15(23)13-9-12-10-20(7-8-22(12)19-13)17(24)11-21-14-5-3-4-6-16(14)26-18(21)25/h3-6,9,15,23H,2,7-8,10-11H2,1H3
InChIKeyAYVNBGIRCUTNJN-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.28
Rot. Bonds4

About 3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (PubChem CID 90650176) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
PubChem CID90650176
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCCC(O)c1cc2n(n1)CCN(C(=O)Cn1c(=O)oc3ccccc31)C2
InChIInChI=1S/C18H20N4O4/c1-2-15(23)13-9-12-10-20(7-8-22(12)19-13)17(24)11-21-14-5-3-4-6-16(14)26-18(21)25/h3-6,9,15,23H,2,7-8,10-11H2,1H3
InChIKeyAYVNBGIRCUTNJN-UHFFFAOYSA-N
XLogP1.28
TPSA93.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one
CID 91760764
3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one
CID 99970845
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2093488
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 90652212
2-(4,5-dimethylimidazol-1-yl)-1-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 90653751
3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 91780343
3-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 35609884
3-[2-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 122343474
3-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 134063543
1-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-pyridin-2-ylsulfanylethanone
CID 90649979
1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one
CID 91788695
3-[3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]-1H-benzimidazol-2-one
CID 91797624

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (CID 90650176) is 3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is CCC(O)c1cc2n(n1)CCN(C(=O)Cn1c(=O)oc3ccccc31)C2.
What is the InChIKey of 3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The InChIKey is AYVNBGIRCUTNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-2-15(23)13-9-12-10-20(7-8-22(12)19-13)17(24)11-21-14-5-3-4-6-16(14)26-18(21)25/h3-6,9,15,23H,2,7-8,10-11H2,1H3.
What are the key properties of 3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one has a molecular weight of 356.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 90650176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).