(5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

C17H17N5O3 — CID 110225015

IUPAC(5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
SMILESCCCc1cc(C(=O)N2CCC2c2nc(-c3cccnc3)no2)no1
InChIInChI=1S/C17H17N5O3/c1-2-4-12-9-13(20-24-12)17(23)22-8-6-14(22)16-19-15(21-25-16)11-5-3-7-18-10-11/h3,5,7,9-10,14H,2,4,6,8H2,1H3
InChIKeyDGFHCARNNQSHFB-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.66
Rot. Bonds5

About (5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

(5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone (PubChem CID 110225015) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is (5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
PubChem CID110225015
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name(5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
SMILESCCCc1cc(C(=O)N2CCC2c2nc(-c3cccnc3)no2)no1
InChIInChI=1S/C17H17N5O3/c1-2-4-12-9-13(20-24-12)17(23)22-8-6-14(22)16-19-15(21-25-16)11-5-3-7-18-10-11/h3,5,7,9-10,14H,2,4,6,8H2,1H3
InChIKeyDGFHCARNNQSHFB-UHFFFAOYSA-N
XLogP2.66
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

phenyl-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 92573988
(3-propan-2-yl-1,2-oxazol-5-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 110225014
[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-thiophen-2-ylmethanone
CID 110225360
2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 92595473
2-(3-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 92599228
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70710458
2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 110225003
2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 92570901
2-cyclopentyl-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95110779
(6-methyl-3-pyridinyl)-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95110782
(6-methyl-3-pyridinyl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 53192007
(5-propyl-1,2-oxazol-3-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 124986927

Frequently Asked Questions

What is the IUPAC name of (5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The IUPAC name of (5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone (CID 110225015) is (5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The canonical SMILES for (5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone is CCCc1cc(C(=O)N2CCC2c2nc(-c3cccnc3)no2)no1.
What is the InChIKey of (5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The InChIKey is DGFHCARNNQSHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-2-4-12-9-13(20-24-12)17(23)22-8-6-14(22)16-19-15(21-25-16)11-5-3-7-18-10-11/h3,5,7,9-10,14H,2,4,6,8H2,1H3.
What are the key properties of (5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
(5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone has a molecular weight of 339.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 110225015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).