3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol

C13H15NO4S — CID 111104978

IUPAC3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol
SMILESO=S(=O)(CCCO)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C13H15NO4S/c15-7-4-8-19(16,17)10-12-9-13(14-18-12)11-5-2-1-3-6-11/h1-3,5-6,9,15H,4,7-8,10H2
InChIKeyBHSIFRCPEAJYHM-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.64
Rot. Bonds6

About 3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol

3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol (PubChem CID 111104978) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol.

Molecular Properties

Compound Name3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol
PubChem CID111104978
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol
SMILESO=S(=O)(CCCO)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C13H15NO4S/c15-7-4-8-19(16,17)10-12-9-13(14-18-12)11-5-2-1-3-6-11/h1-3,5-6,9,15H,4,7-8,10H2
InChIKeyBHSIFRCPEAJYHM-UHFFFAOYSA-N
XLogP1.64
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-hydroxyethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 62021320
4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
CID 102036434
(3-phenyl-1,2-oxazol-5-yl)methanesulfinic acid
CID 165450453
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide
CID 71996846
(2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide
CID 94087908
2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid
CID 126722633
4-benzylsulfonylbutan-1-ol
CID 68839757
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
5-hexyl-3-phenyl-1,2-oxazole
CID 15445646
3-methyl-5-(2-phenylethylsulfonylmethyl)-1,2-oxazole
CID 71941898
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide
CID 167778750
2-(methylsulfonylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline
CID 56790662

Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol?
The IUPAC name of 3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol (CID 111104978) is 3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol.
What is the SMILES notation for 3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol?
The canonical SMILES for 3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol is O=S(=O)(CCCO)Cc1cc(-c2ccccc2)no1.
What is the InChIKey of 3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol?
The InChIKey is BHSIFRCPEAJYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c15-7-4-8-19(16,17)10-12-9-13(14-18-12)11-5-2-1-3-6-11/h1-3,5-6,9,15H,4,7-8,10H2.
What are the key properties of 3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol?
3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol has a molecular weight of 281.33 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol is sourced from PubChem (CID 111104978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).