[3-benzyl-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol

C12H15NO3 — CID 57271589

IUPAC[3-benzyl-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
SMILESOCC1(CO)C=C(Cc2ccccc2)NO1
InChIInChI=1S/C12H15NO3/c14-8-12(9-15)7-11(13-16-12)6-10-4-2-1-3-5-10/h1-5,7,13-15H,6,8-9H2
InChIKeyFONJZQCORMFTNF-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.37
Rot. Bonds4

About [3-benzyl-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol

[3-benzyl-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol (PubChem CID 57271589) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is [3-benzyl-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-benzyl-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
PubChem CID57271589
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name[3-benzyl-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
SMILESOCC1(CO)C=C(Cc2ccccc2)NO1
InChIInChI=1S/C12H15NO3/c14-8-12(9-15)7-11(13-16-12)6-10-4-2-1-3-5-10/h1-5,7,13-15H,6,8-9H2
InChIKeyFONJZQCORMFTNF-UHFFFAOYSA-N
XLogP0.37
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
CID 56635512
[3-(4-Fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56986394
[3-(3-Fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91060512
[3-(3,4-Difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91204558
[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91595047
(5-methyl-3-phenyl-2H-1,2-oxazol-5-yl)methanol
CID 53877652
(3-Phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol
CID 54227131
3-Benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol
CID 56624458
3-Benzyl-2,5-dihydro-1,2-oxazole
CID 57044806
3-(3-Phenylpropyl)-2,5-dihydro-1,2-oxazole
CID 57062385
3-(1-Phenylethenylamino)oxypropan-1-ol
CID 57138090
3-[(6-Benzylidenecyclohexen-1-yl)amino]oxypropane-1,2-diol
CID 57207221

Frequently Asked Questions

What is the IUPAC name of [3-benzyl-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-benzyl-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol (CID 57271589) is [3-benzyl-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-benzyl-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-benzyl-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol is OCC1(CO)C=C(Cc2ccccc2)NO1.
What is the InChIKey of [3-benzyl-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol?
The InChIKey is FONJZQCORMFTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-8-12(9-15)7-11(13-16-12)6-10-4-2-1-3-5-10/h1-5,7,13-15H,6,8-9H2.
What are the key properties of [3-benzyl-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol?
[3-benzyl-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol has a molecular weight of 221.26 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 57271589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).