3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one

C16H21N3O4 — CID 128981499

IUPAC3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCC(C)c1nnc(C2CN(C(=O)CCc3ccco3)CCO2)o1
InChIInChI=1S/C16H21N3O4/c1-11(2)15-17-18-16(23-15)13-10-19(7-9-22-13)14(20)6-5-12-4-3-8-21-12/h3-4,8,11,13H,5-7,9-10H2,1-2H3
InChIKeyPCJVZTMLGODLQS-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.32
Rot. Bonds5

About 3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one

3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one (PubChem CID 128981499) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
PubChem CID128981499
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCC(C)c1nnc(C2CN(C(=O)CCc3ccco3)CCO2)o1
InChIInChI=1S/C16H21N3O4/c1-11(2)15-17-18-16(23-15)13-10-19(7-9-22-13)14(20)6-5-12-4-3-8-21-12/h3-4,8,11,13H,5-7,9-10H2,1-2H3
InChIKeyPCJVZTMLGODLQS-UHFFFAOYSA-N
XLogP2.32
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methylfuran-2-yl)-1-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129328263
3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129327171
3-methyl-1-[2-oxo-2-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethyl]pyridin-2-one
CID 129327007
4-[3-(furan-2-yl)propanoyl]morpholine-2-carbothioamide
CID 79674928
isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129473192
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one
CID 110356623
(5-ethyl-3-methylfuran-2-yl)-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326599
(2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 129333071
[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-quinolin-2-ylmethanone
CID 128969841
(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide
CID 129476144
indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128971284
(2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129327146

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one (CID 128981499) is 3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one is CC(C)c1nnc(C2CN(C(=O)CCc3ccco3)CCO2)o1.
What is the InChIKey of 3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The InChIKey is PCJVZTMLGODLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-11(2)15-17-18-16(23-15)13-10-19(7-9-22-13)14(20)6-5-12-4-3-8-21-12/h3-4,8,11,13H,5-7,9-10H2,1-2H3.
What are the key properties of 3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one has a molecular weight of 319.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 128981499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).