4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one

C11H12N2O3 — CID 111127241

IUPAC4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2)n1CCCO
InChIInChI=1S/C11H12N2O3/c14-8-4-7-13-10(12-16-11(13)15)9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2
InChIKeyMZMUFEVRIFGWKZ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.89
Rot. Bonds4

About 4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one

4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one (PubChem CID 111127241) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one
PubChem CID111127241
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2)n1CCCO
InChIInChI=1S/C11H12N2O3/c14-8-4-7-13-10(12-16-11(13)15)9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2
InChIKeyMZMUFEVRIFGWKZ-UHFFFAOYSA-N
XLogP0.89
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one
CID 71871872
4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one
CID 51102980
4-(oxolan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazol-5-one
CID 75368885
4-[[(3S)-oxolan-3-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 97210991
N-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide
CID 48730150
4-[3-(4,5-dimethylimidazol-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 111123300
N-[3-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]phenyl]propanamide
CID 1435028
4-[3-(3,5-dimethylmorpholin-4-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 111452484
4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 47087536
9-(3-hydroxypropyl)-1-methyl-8-phenyl-3H-purine-2,6-dione
CID 10979495
N-[1-(furan-2-yl)ethyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
CID 71935095
3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]-N-phenylbenzamide
CID 71881498

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one (CID 111127241) is 4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one is O=c1onc(-c2ccccc2)n1CCCO.
What is the InChIKey of 4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one?
The InChIKey is MZMUFEVRIFGWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-8-4-7-13-10(12-16-11(13)15)9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2.
What are the key properties of 4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one?
4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one has a molecular weight of 220.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)-3-phenyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 111127241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).