3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

C17H17N5O3 — CID 146138655

IUPAC3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1nc(C2CCN(C(=O)Nc3cc(-c4ccccc4)on3)C2)no1
InChIInChI=1S/C17H17N5O3/c1-11-18-16(21-24-11)13-7-8-22(10-13)17(23)19-15-9-14(25-20-15)12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,19,20,23)
InChIKeyVZMJSBZVVJATGM-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.05
Rot. Bonds3

About 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 146138655) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID146138655
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1nc(C2CCN(C(=O)Nc3cc(-c4ccccc4)on3)C2)no1
InChIInChI=1S/C17H17N5O3/c1-11-18-16(21-24-11)13-7-8-22(10-13)17(23)19-15-9-14(25-20-15)12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,19,20,23)
InChIKeyVZMJSBZVVJATGM-UHFFFAOYSA-N
XLogP3.05
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 136562477
(2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 99934036
(2R)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 99934035
4-(oxane-4-carbonyl)-N-(5-phenyl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
CID 54581476
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 72923845
N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108812671
N-cyclohexyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905560
N-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905600
(2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 95734813
[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 124761234
N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 118794893
(3-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 155954717

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 146138655) is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is Cc1nc(C2CCN(C(=O)Nc3cc(-c4ccccc4)on3)C2)no1.
What is the InChIKey of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is VZMJSBZVVJATGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11-18-16(21-24-11)13-7-8-22(10-13)17(23)19-15-9-14(25-20-15)12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,19,20,23).
What are the key properties of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 146138655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).