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

C13H21N3O3 — CID 62372529

IUPAC1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCCCc1noc(CCC(=O)N2CCC(CO)C2)n1
InChIInChI=1S/C13H21N3O3/c1-2-3-11-14-12(19-15-11)4-5-13(18)16-7-6-10(8-16)9-17/h10,17H,2-9H2,1H3
InChIKeyBUPTYWSCDFYLMO-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.80
Rot. Bonds6

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

1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 62372529) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID62372529
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCCCc1noc(CCC(=O)N2CCC(CO)C2)n1
InChIInChI=1S/C13H21N3O3/c1-2-3-11-14-12(19-15-11)4-5-13(18)16-7-6-10(8-16)9-17/h10,17H,2-9H2,1H3
InChIKeyBUPTYWSCDFYLMO-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 62372529) is 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one is CCCc1noc(CCC(=O)N2CCC(CO)C2)n1.
What is the InChIKey of 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is BUPTYWSCDFYLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-3-11-14-12(19-15-11)4-5-13(18)16-7-6-10(8-16)9-17/h10,17H,2-9H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[3-(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 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 62372529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).