1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C15H17N5O3 — CID 136535064

IUPAC1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ncccn2)no1)N1CC(O)(C2CC2)C1
InChIInChI=1S/C15H17N5O3/c21-12(20-8-15(22,9-20)10-2-3-10)5-4-11-18-14(19-23-11)13-16-6-1-7-17-13/h1,6-7,10,22H,2-5,8-9H2
InChIKeyZXIJBMWXPFTVIH-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.44
Rot. Bonds5

About 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 136535064) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID136535064
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ncccn2)no1)N1CC(O)(C2CC2)C1
InChIInChI=1S/C15H17N5O3/c21-12(20-8-15(22,9-20)10-2-3-10)5-4-11-18-14(19-23-11)13-16-6-1-7-17-13/h1,6-7,10,22H,2-5,8-9H2
InChIKeyZXIJBMWXPFTVIH-UHFFFAOYSA-N
XLogP0.44
TPSA105.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 136535064) is 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is O=C(CCc1nc(-c2ncccn2)no1)N1CC(O)(C2CC2)C1.
What is the InChIKey of 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is ZXIJBMWXPFTVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c21-12(20-8-15(22,9-20)10-2-3-10)5-4-11-18-14(19-23-11)13-16-6-1-7-17-13/h1,6-7,10,22H,2-5,8-9H2.
What are the key properties of 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 315.33 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 136535064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).