5-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C11H11BrN6O2 — CID 128992034

IUPAC5-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2CCCN2c2ncc(Br)cn2)n1
InChIInChI=1S/C11H11BrN6O2/c12-6-4-14-11(15-5-6)18-3-1-2-7(18)10-16-9(8(13)19)17-20-10/h4-5,7H,1-3H2,(H2,13,19)
InChIKeyPGXDDANJPATREP-UHFFFAOYSA-N
MW339.15 g/mol
LogP1.06
Rot. Bonds3

About 5-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

5-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 128992034) has the molecular formula C11H11BrN6O2 and a molecular weight of 339.15 g/mol. Its IUPAC name is 5-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID128992034
Molecular FormulaC11H11BrN6O2
Molecular Weight339.15 g/mol
Exact Mass338.01
IUPAC Name5-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2CCCN2c2ncc(Br)cn2)n1
InChIInChI=1S/C11H11BrN6O2/c12-6-4-14-11(15-5-6)18-3-1-2-7(18)10-16-9(8(13)19)17-20-10/h4-5,7H,1-3H2,(H2,13,19)
InChIKeyPGXDDANJPATREP-UHFFFAOYSA-N
XLogP1.06
TPSA111.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-5-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129328356
5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 128999887
(5-bromopyrimidin-2-yl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 155954695
5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129341141
5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129000090
5-[(2R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129330570
5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 99799674
5-[1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 128999920
5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129336714
5-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129000044
5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129331783
5-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129342039

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 128992034) is 5-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(C2CCCN2c2ncc(Br)cn2)n1.
What is the InChIKey of 5-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is PGXDDANJPATREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN6O2/c12-6-4-14-11(15-5-6)18-3-1-2-7(18)10-16-9(8(13)19)17-20-10/h4-5,7H,1-3H2,(H2,13,19).
What are the key properties of 5-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
5-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 339.15 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 128992034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).