1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one

C13H21N3O3 — CID 66262063

IUPAC1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCCCc1noc(CCC(=O)N2CCC[C@@H]2CO)n1
InChIInChI=1S/C13H21N3O3/c1-2-4-11-14-12(19-15-11)6-7-13(18)16-8-3-5-10(16)9-17/h10,17H,2-9H2,1H3/t10-/m1/s1
InChIKeyWFXRYXBEHLPVPY-SNVBAGLBSA-N
MW267.33 g/mol
LogP0.94
Rot. Bonds6

About 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one

1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 66262063) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID66262063
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCCCc1noc(CCC(=O)N2CCC[C@@H]2CO)n1
InChIInChI=1S/C13H21N3O3/c1-2-4-11-14-12(19-15-11)6-7-13(18)16-8-3-5-10(16)9-17/h10,17H,2-9H2,1H3/t10-/m1/s1
InChIKeyWFXRYXBEHLPVPY-SNVBAGLBSA-N
XLogP0.94
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid
CID 43355954
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 62372529
N-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 92634423
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 62355730
3-amino-N-[[1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidin-2-yl]methyl]propanamide
CID 120579941
1-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95132774
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43421365
3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95768717
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95314199
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 95347041
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95282727
N-[2-(hydroxymethyl)cyclopentyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103774119

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 66262063) is 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one is CCCc1noc(CCC(=O)N2CCC[C@@H]2CO)n1.
What is the InChIKey of 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is WFXRYXBEHLPVPY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-4-11-14-12(19-15-11)6-7-13(18)16-8-3-5-10(16)9-17/h10,17H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 267.33 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 66262063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).