(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate

C18H21N3O4 — CID 46672328

IUPAC(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCC(OC(=O)CCc1nc(-c2ccccc2)no1)C(=O)N1CCCC1
InChIInChI=1S/C18H21N3O4/c1-13(18(23)21-11-5-6-12-21)24-16(22)10-9-15-19-17(20-25-15)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3
InChIKeyQWRQMVFBZVMJIO-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.22
Rot. Bonds6

About (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate

(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 46672328) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID46672328
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCC(OC(=O)CCc1nc(-c2ccccc2)no1)C(=O)N1CCCC1
InChIInChI=1S/C18H21N3O4/c1-13(18(23)21-11-5-6-12-21)24-16(22)10-9-15-19-17(20-25-15)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3
InChIKeyQWRQMVFBZVMJIO-UHFFFAOYSA-N
XLogP2.22
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 46625746
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 46826635
[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55540592
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 9058981
[1-oxo-1-(2-phenylanilino)propan-2-yl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 46659190
1-morpholin-4-yl-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762654
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 9059067
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 46660411
(2,6-dimethylphenyl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 9192024
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55426608
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 174569483

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate (CID 46672328) is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate is CC(OC(=O)CCc1nc(-c2ccccc2)no1)C(=O)N1CCCC1.
What is the InChIKey of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is QWRQMVFBZVMJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-13(18(23)21-11-5-6-12-21)24-16(22)10-9-15-19-17(20-25-15)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3.
What are the key properties of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate?
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 343.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 46672328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).