1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C13H12N4O4 — CID 168698630

IUPAC1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2nnc(-c3ccc(O)cc3)o2)C1
InChIInChI=1S/C13H12N4O4/c14-11(20)8-5-10(19)17(6-8)13-16-15-12(21-13)7-1-3-9(18)4-2-7/h1-4,8,18H,5-6H2,(H2,14,20)
InChIKeyCAZMVRHELJNTEB-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.28
Rot. Bonds3

About 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698630) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168698630
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2nnc(-c3ccc(O)cc3)o2)C1
InChIInChI=1S/C13H12N4O4/c14-11(20)8-5-10(19)17(6-8)13-16-15-12(21-13)7-1-3-9(18)4-2-7/h1-4,8,18H,5-6H2,(H2,14,20)
InChIKeyCAZMVRHELJNTEB-UHFFFAOYSA-N
XLogP0.28
TPSA122.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
CID 168664338
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-(1,3-oxazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698612
1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 50881711
(3S)-1-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94068450
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697831
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168695945
1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 168698208

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 168698630) is 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2nnc(-c3ccc(O)cc3)o2)C1.
What is the InChIKey of 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CAZMVRHELJNTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c14-11(20)8-5-10(19)17(6-8)13-16-15-12(21-13)7-1-3-9(18)4-2-7/h1-4,8,18H,5-6H2,(H2,14,20).
What are the key properties of 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 288.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).