1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

C17H19N5O2 — CID 138995286

IUPAC1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(c2nc(-c3nccc4[nH]ccc34)no2)CC1=O
InChIInChI=1S/C17H19N5O2/c1-17(2,3)22-9-10(8-13(22)23)16-20-15(21-24-16)14-11-4-6-18-12(11)5-7-19-14/h4-7,10,18H,8-9H2,1-3H3
InChIKeyQJSJHZYVOBYKSI-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.73
Rot. Bonds2

About 1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 138995286) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID138995286
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCC(C)(C)N1CC(c2nc(-c3nccc4[nH]ccc34)no2)CC1=O
InChIInChI=1S/C17H19N5O2/c1-17(2,3)22-9-10(8-13(22)23)16-20-15(21-24-16)14-11-4-6-18-12(11)5-7-19-14/h4-7,10,18H,8-9H2,1-3H3
InChIKeyQJSJHZYVOBYKSI-UHFFFAOYSA-N
XLogP2.73
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 154801845
3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 139002607
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 139000989
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride
CID 120861175
(4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97454421
1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 138995276
5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 154756384
4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 166253742
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-propan-2-ylpyrrolidin-2-one
CID 72911459
(4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41014921
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one
CID 72879147
(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51894139

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 138995286) is 1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is CC(C)(C)N1CC(c2nc(-c3nccc4[nH]ccc34)no2)CC1=O.
What is the InChIKey of 1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is QJSJHZYVOBYKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-17(2,3)22-9-10(8-13(22)23)16-20-15(21-24-16)14-11-4-6-18-12(11)5-7-19-14/h4-7,10,18H,8-9H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 325.37 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 138995286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).