4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one

C16H15N5O3 — CID 166224064

IUPAC4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
SMILESO=C1CC(c2nc(COc3ccccc3)no2)CN1c1cn[nH]c1
InChIInChI=1S/C16H15N5O3/c22-15-6-11(9-21(15)12-7-17-18-8-12)16-19-14(20-24-16)10-23-13-4-2-1-3-5-13/h1-5,7-8,11H,6,9-10H2,(H,17,18)
InChIKeyZDHSKZHOPSSDKG-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.89
Rot. Bonds5

About 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one

4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one (PubChem CID 166224064) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
PubChem CID166224064
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
SMILESO=C1CC(c2nc(COc3ccccc3)no2)CN1c1cn[nH]c1
InChIInChI=1S/C16H15N5O3/c22-15-6-11(9-21(15)12-7-17-18-8-12)16-19-14(20-24-16)10-23-13-4-2-1-3-5-13/h1-5,7-8,11H,6,9-10H2,(H,17,18)
InChIKeyZDHSKZHOPSSDKG-UHFFFAOYSA-N
XLogP1.89
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethylphenyl)-4-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 126781592
1-(4-fluoro-3-methylphenyl)-4-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 126780599
5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 138999515
4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 91651422
(4S)-4-[3-[2-(benzenesulfonyl)ethyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 95050531
3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62717200
(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 93492650
cis-(1S,3R)-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323295
4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83200610
4-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 71783653
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 54959696
(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 41015202

Frequently Asked Questions

What is the IUPAC name of 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one (CID 166224064) is 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one is O=C1CC(c2nc(COc3ccccc3)no2)CN1c1cn[nH]c1.
What is the InChIKey of 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is ZDHSKZHOPSSDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c22-15-6-11(9-21(15)12-7-17-18-8-12)16-19-14(20-24-16)10-23-13-4-2-1-3-5-13/h1-5,7-8,11H,6,9-10H2,(H,17,18).
What are the key properties of 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 325.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 166224064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).