4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one

C13H13N3O4 — CID 168664338

IUPAC4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C13H13N3O4/c17-7-8-5-11(19)16(6-8)13-15-14-12(20-13)9-1-3-10(18)4-2-9/h1-4,8,17-18H,5-7H2
InChIKeyCNUNCGFYMRWNPY-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.79
Rot. Bonds3

About 4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one

4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one (PubChem CID 168664338) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
PubChem CID168664338
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C13H13N3O4/c17-7-8-5-11(19)16(6-8)13-15-14-12(20-13)9-1-3-10(18)4-2-9/h1-4,8,17-18H,5-7H2
InChIKeyCNUNCGFYMRWNPY-UHFFFAOYSA-N
XLogP0.79
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 168698630
1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716315
1-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710808
S-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168707477
1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664025
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
1-(2-chloro-5-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663464
1-(5-chloro-1,3-benzoxazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664257
[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674598
4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 135860745
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
CID 168686728

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one (CID 168664338) is 4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one is O=C1CC(CO)CN1c1nnc(-c2ccc(O)cc2)o1.
What is the InChIKey of 4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one?
The InChIKey is CNUNCGFYMRWNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-7-8-5-11(19)16(6-8)13-15-14-12(20-13)9-1-3-10(18)4-2-9/h1-4,8,17-18H,5-7H2.
What are the key properties of 4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one?
4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one has a molecular weight of 275.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168664338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).