(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol

C10H11NO2 — CID 54227131

IUPAC(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol
SMILESOCC1C=C(c2ccccc2)NO1
InChIInChI=1S/C10H11NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-6,9,11-12H,7H2
InChIKeyQGQIOVXSHXRWON-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.92
Rot. Bonds2

About (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol

(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol (PubChem CID 54227131) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol
PubChem CID54227131
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol
SMILESOCC1C=C(c2ccccc2)NO1
InChIInChI=1S/C10H11NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-6,9,11-12H,7H2
InChIKeyQGQIOVXSHXRWON-UHFFFAOYSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 5056306
[3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
CID 56635512
3-[4-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56974051
3-(2-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56980972
[3-(4-Fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56986394
3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57054153
[3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methanol
CID 57113488
3-(3-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57260376
[3-(3-Fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91060512
[3-(4-Bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91127610
4-[5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-2,5-dihydro-1,2-oxazol-3-yl]benzonitrile
CID 91143620
[3-(3,4-Difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91204558

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol (CID 54227131) is (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol is OCC1C=C(c2ccccc2)NO1.
What is the InChIKey of (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol?
The InChIKey is QGQIOVXSHXRWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-6,9,11-12H,7H2.
What are the key properties of (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol?
(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol has a molecular weight of 177.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 54227131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).