5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole

C21H19N5O2 — CID 95712932

IUPAC5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc([C@@H]3CCCN3Cc3cnc(-c4ccco4)nc3)n2)cc1
InChIInChI=1S/C21H19N5O2/c1-2-6-16(7-3-1)19-24-21(28-25-19)17-8-4-10-26(17)14-15-12-22-20(23-13-15)18-9-5-11-27-18/h1-3,5-7,9,11-13,17H,4,8,10,14H2/t17-/m0/s1
InChIKeyOPEQSXOTBUSZMY-KRWDZBQOSA-N
MW373.42 g/mol
LogP4.12
Rot. Bonds5

About 5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole

5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 95712932) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID95712932
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc([C@@H]3CCCN3Cc3cnc(-c4ccco4)nc3)n2)cc1
InChIInChI=1S/C21H19N5O2/c1-2-6-16(7-3-1)19-24-21(28-25-19)17-8-4-10-26(17)14-15-12-22-20(23-13-15)18-9-5-11-27-18/h1-3,5-7,9,11-13,17H,4,8,10,14H2/t17-/m0/s1
InChIKeyOPEQSXOTBUSZMY-KRWDZBQOSA-N
XLogP4.12
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 95722957
5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
[4-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892545
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 97071015
2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 95719382
5-[(2S)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 77086922
N-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 162799245
5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 75614917
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131386
5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131269
5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 50963117

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole (CID 95712932) is 5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc([C@@H]3CCCN3Cc3cnc(-c4ccco4)nc3)n2)cc1.
What is the InChIKey of 5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is OPEQSXOTBUSZMY-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-2-6-16(7-3-1)19-24-21(28-25-19)17-8-4-10-26(17)14-15-12-22-20(23-13-15)18-9-5-11-27-18/h1-3,5-7,9,11-13,17H,4,8,10,14H2/t17-/m0/s1.
What are the key properties of 5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole?
5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 373.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 95712932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).