5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one

C22H24N4O5 — CID 137439414

IUPAC5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one
SMILESO=C(C1CCC1)N1CCC(c2noc(-c3ccc4oc(=O)n(C5COC5)c4c3)n2)CC1
InChIInChI=1S/C22H24N4O5/c27-21(14-2-1-3-14)25-8-6-13(7-9-25)19-23-20(31-24-19)15-4-5-18-17(10-15)26(22(28)30-18)16-11-29-12-16/h4-5,10,13-14,16H,1-3,6-9,11-12H2
InChIKeyNSPHHKOIDQIJKV-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.72
Rot. Bonds4

About 5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one

5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one (PubChem CID 137439414) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one
PubChem CID137439414
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one
SMILESO=C(C1CCC1)N1CCC(c2noc(-c3ccc4oc(=O)n(C5COC5)c4c3)n2)CC1
InChIInChI=1S/C22H24N4O5/c27-21(14-2-1-3-14)25-8-6-13(7-9-25)19-23-20(31-24-19)15-4-5-18-17(10-15)26(22(28)30-18)16-11-29-12-16/h4-5,10,13-14,16H,1-3,6-9,11-12H2
InChIKeyNSPHHKOIDQIJKV-UHFFFAOYSA-N
XLogP2.72
TPSA103.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 142573668
cyclobutyl-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 155066698
(1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 134477842
cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129416928
(3-fluoro-2-pyridinyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 134477803
methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439580
2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 137439694
[(3R)-oxolan-3-yl]-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417858
tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439750
5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one
CID 46959716
tert-butyl (2S,4S)-2-methyl-4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439350
cyclobutyl-[(3R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92548158

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one?
The IUPAC name of 5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one (CID 137439414) is 5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one is O=C(C1CCC1)N1CCC(c2noc(-c3ccc4oc(=O)n(C5COC5)c4c3)n2)CC1.
What is the InChIKey of 5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one?
The InChIKey is NSPHHKOIDQIJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c27-21(14-2-1-3-14)25-8-6-13(7-9-25)19-23-20(31-24-19)15-4-5-18-17(10-15)26(22(28)30-18)16-11-29-12-16/h4-5,10,13-14,16H,1-3,6-9,11-12H2.
What are the key properties of 5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one?
5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one has a molecular weight of 424.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 137439414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).