5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

C17H17N3O2 — CID 97455192

IUPAC5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCn1c(-c2ccccc2)ccc1-c1nc([C@H]2CCOC2)no1
InChIInChI=1S/C17H17N3O2/c1-20-14(12-5-3-2-4-6-12)7-8-15(20)17-18-16(19-22-17)13-9-10-21-11-13/h2-8,13H,9-11H2,1H3/t13-/m0/s1
InChIKeyWXECDHSMXHGHNB-ZDUSSCGKSA-N
MW295.34 g/mol
LogP3.25
Rot. Bonds3

About 5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97455192) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97455192
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCn1c(-c2ccccc2)ccc1-c1nc([C@H]2CCOC2)no1
InChIInChI=1S/C17H17N3O2/c1-20-14(12-5-3-2-4-6-12)7-8-15(20)17-18-16(19-22-17)13-9-10-21-11-13/h2-8,13H,9-11H2,1H3/t13-/m0/s1
InChIKeyWXECDHSMXHGHNB-ZDUSSCGKSA-N
XLogP3.25
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methyl-5-phenylpyrrol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72931350
3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
CID 97444146
3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 97082937
5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437031
5-(6-chloro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72905118
5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97446011
5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72902714
N,N-dimethyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]aniline
CID 97433611
5-(furan-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97018511
1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 97434052
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443285

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97455192) is 5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is Cn1c(-c2ccccc2)ccc1-c1nc([C@H]2CCOC2)no1.
What is the InChIKey of 5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is WXECDHSMXHGHNB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20-14(12-5-3-2-4-6-12)7-8-15(20)17-18-16(19-22-17)13-9-10-21-11-13/h2-8,13H,9-11H2,1H3/t13-/m0/s1.
What are the key properties of 5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 295.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97455192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).