[3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium

C16H14NO3+ — CID 155722733

IUPAC[3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium
SMILESCc1noc(-c2ccc([OH2+])cc2O)c1-c1ccccc1
InChIInChI=1S/C16H13NO3/c1-10-15(11-5-3-2-4-6-11)16(20-17-10)13-8-7-12(18)9-14(13)19/h2-9,18-19H,1H3/p+1
InChIKeyUZUXPZBCKKWSLB-UHFFFAOYSA-O
MW268.29 g/mol
LogP3.46
Rot. Bonds2

About [3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium

[3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium (PubChem CID 155722733) has the molecular formula C16H14NO3+ and a molecular weight of 268.29 g/mol. Its IUPAC name is [3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium.

Molecular Properties

Compound Name[3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium
PubChem CID155722733
Molecular FormulaC16H14NO3+
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name[3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium
SMILESCc1noc(-c2ccc([OH2+])cc2O)c1-c1ccccc1
InChIInChI=1S/C16H13NO3/c1-10-15(11-5-3-2-4-6-11)16(20-17-10)13-8-7-12(18)9-14(13)19/h2-9,18-19H,1H3/p+1
InChIKeyUZUXPZBCKKWSLB-UHFFFAOYSA-O
XLogP3.46
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen
CID 167674338
4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
CID 854607
5-methoxy-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-4-phenylphenol
CID 142932039
4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
CID 135650271
2-(4-amino-3-methyl-1,2-oxazol-5-yl)phenol
CID 135818847
2-[4-(aminomethyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 136765417
N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)acetamide
CID 14174108
4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 143777991
cis-(2S,5R)-2,5-dimethyl-1-(3-methyl-5-phenyl-1,2-oxazol-4-yl)cyclopentan-1-ol
CID 15716068
3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol
CID 2088964
5-methoxy-2-(4-phenyl-1,2-oxazol-5-yl)phenol
CID 135657525
5-[(4-fluorophenyl)methoxy]-2-[4-(2-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 135652684

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium?
The IUPAC name of [3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium (CID 155722733) is [3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium.
What is the SMILES notation for [3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium?
The canonical SMILES for [3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium is Cc1noc(-c2ccc([OH2+])cc2O)c1-c1ccccc1.
What is the InChIKey of [3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium?
The InChIKey is UZUXPZBCKKWSLB-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13NO3/c1-10-15(11-5-3-2-4-6-11)16(20-17-10)13-8-7-12(18)9-14(13)19/h2-9,18-19H,1H3/p+1.
What are the key properties of [3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium?
[3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium has a molecular weight of 268.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenyl]oxidanium is sourced from PubChem (CID 155722733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).