1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

C18H23N3O2 — CID 93242539

IUPAC1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESCC(C)c1nnc(CCC(=O)N2CC[C@@H](c3ccccc3)C2)o1
InChIInChI=1S/C18H23N3O2/c1-13(2)18-20-19-16(23-18)8-9-17(22)21-11-10-15(12-21)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3/t15-/m1/s1
InChIKeyUFFBZTSBGFKENM-OAHLLOKOSA-N
MW313.40 g/mol
LogP3.14
Rot. Bonds5

About 1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 93242539) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
PubChem CID93242539
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESCC(C)c1nnc(CCC(=O)N2CC[C@@H](c3ccccc3)C2)o1
InChIInChI=1S/C18H23N3O2/c1-13(2)18-20-19-16(23-18)8-9-17(22)21-11-10-15(12-21)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3/t15-/m1/s1
InChIKeyUFFBZTSBGFKENM-OAHLLOKOSA-N
XLogP3.14
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 127246678
1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110105830
4-methyl-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 60605253
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124609264
1-[(3R)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 124980946
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 110094009
1-[3-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110252398
1-[(2R)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 124952159
1-[(3R)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 95813784
1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 124975272
2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide
CID 60605411
ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
CID 51895095

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The IUPAC name of 1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 93242539) is 1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is CC(C)c1nnc(CCC(=O)N2CC[C@@H](c3ccccc3)C2)o1.
What is the InChIKey of 1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The InChIKey is UFFBZTSBGFKENM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)18-20-19-16(23-18)8-9-17(22)21-11-10-15(12-21)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 313.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 93242539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).