2-phenyl-4,5-dihydro-1,3-oxazol-5-ol

C9H9NO2 — CID 135011554

IUPAC2-phenyl-4,5-dihydro-1,3-oxazol-5-ol
SMILESOC1CN=C(c2ccccc2)O1
InChIInChI=1S/C9H9NO2/c11-8-6-10-9(12-8)7-4-2-1-3-5-7/h1-5,8,11H,6H2
InChIKeySCEPQMQINSNIMP-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.78
Rot. Bonds1

About 2-phenyl-4,5-dihydro-1,3-oxazol-5-ol

2-phenyl-4,5-dihydro-1,3-oxazol-5-ol (PubChem CID 135011554) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-phenyl-4,5-dihydro-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-phenyl-4,5-dihydro-1,3-oxazol-5-ol
PubChem CID135011554
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2-phenyl-4,5-dihydro-1,3-oxazol-5-ol
SMILESOC1CN=C(c2ccccc2)O1
InChIInChI=1S/C9H9NO2/c11-8-6-10-9(12-8)7-4-2-1-3-5-7/h1-5,8,11H,6H2
InChIKeySCEPQMQINSNIMP-UHFFFAOYSA-N
XLogP0.78
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-ol
CID 14650602
5-phenyl-2-[4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 127262929
(5R,6S)-2,5,6-triphenyl-5,6-dihydro-4H-1,3-oxazine
CID 122224215
2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 132523730
2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 13484536
(3aR,5S,6S,6aR)-2,2-dimethyl-5-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 39353730
(5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole
CID 134961820
6-butyl-5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 5102402
ethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate
CID 71475241
2-fluoro-5-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol
CID 173312747
4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol
CID 177065088
2-phenyl-4H-1,3-oxazole-5-thione
CID 163499090

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,5-dihydro-1,3-oxazol-5-ol?
The IUPAC name of 2-phenyl-4,5-dihydro-1,3-oxazol-5-ol (CID 135011554) is 2-phenyl-4,5-dihydro-1,3-oxazol-5-ol.
What is the SMILES notation for 2-phenyl-4,5-dihydro-1,3-oxazol-5-ol?
The canonical SMILES for 2-phenyl-4,5-dihydro-1,3-oxazol-5-ol is OC1CN=C(c2ccccc2)O1.
What is the InChIKey of 2-phenyl-4,5-dihydro-1,3-oxazol-5-ol?
The InChIKey is SCEPQMQINSNIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-8-6-10-9(12-8)7-4-2-1-3-5-7/h1-5,8,11H,6H2.
What are the key properties of 2-phenyl-4,5-dihydro-1,3-oxazol-5-ol?
2-phenyl-4,5-dihydro-1,3-oxazol-5-ol has a molecular weight of 163.18 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,5-dihydro-1,3-oxazol-5-ol is sourced from PubChem (CID 135011554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).