3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one

C14H18N2O4 — CID 97243364

IUPAC3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn(C[C@@H](O)COc2ccccc2)c(=O)o1
InChIInChI=1S/C14H18N2O4/c1-2-6-13-15-16(14(18)20-13)9-11(17)10-19-12-7-4-3-5-8-12/h3-5,7-8,11,17H,2,6,9-10H2,1H3/t11-/m1/s1
InChIKeyMLACBWFTKWTXFW-LLVKDONJSA-N
MW278.31 g/mol
LogP1.23
Rot. Bonds7

About 3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one

3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one (PubChem CID 97243364) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one
PubChem CID97243364
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn(C[C@@H](O)COc2ccccc2)c(=O)o1
InChIInChI=1S/C14H18N2O4/c1-2-6-13-15-16(14(18)20-13)9-11(17)10-19-12-7-4-3-5-8-12/h3-5,7-8,11,17H,2,6,9-10H2,1H3/t11-/m1/s1
InChIKeyMLACBWFTKWTXFW-LLVKDONJSA-N
XLogP1.23
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(2-bromophenyl)-2-hydroxyethyl]-5-propyl-1,3,4-oxadiazol-2-one
CID 109412529
2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 110910975
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one
CID 109412535
3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
CID 42947873
1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one
CID 53276332
3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 52870964
2-(2-hydroxy-3-phenoxypropyl)-4-phenylphthalazin-1-one
CID 24651197
2-[(2S)-2-hydroxy-3-phenoxypropyl]-6-(trifluoromethyl)pyridazin-3-one
CID 97242146
[4-[(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 1091493
[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 1091494
5-(furan-2-yl)-3-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3,4-oxadiazol-2-one
CID 55562928
(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol
CID 696935

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one (CID 97243364) is 3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one is CCCc1nn(C[C@@H](O)COc2ccccc2)c(=O)o1.
What is the InChIKey of 3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one?
The InChIKey is MLACBWFTKWTXFW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-6-13-15-16(14(18)20-13)9-11(17)10-19-12-7-4-3-5-8-12/h3-5,7-8,11,17H,2,6,9-10H2,1H3/t11-/m1/s1.
What are the key properties of 3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one?
3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one has a molecular weight of 278.31 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 97243364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).