2-[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde

C12H10FNO2 — CID 115086803

IUPAC2-[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(Cc2ccccc2F)o1
InChIInChI=1S/C12H10FNO2/c13-11-4-2-1-3-9(11)7-12-14-8-10(16-12)5-6-15/h1-4,6,8H,5,7H2
InChIKeyVIDYVDHQRPWMHF-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.15
Rot. Bonds4

About 2-[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde

2-[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde (PubChem CID 115086803) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde
PubChem CID115086803
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name2-[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(Cc2ccccc2F)o1
InChIInChI=1S/C12H10FNO2/c13-11-4-2-1-3-9(11)7-12-14-8-10(16-12)5-6-15/h1-4,6,8H,5,7H2
InChIKeyVIDYVDHQRPWMHF-UHFFFAOYSA-N
XLogP2.15
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Phenyl-1-(5-(trifluoromethyl)oxazol-2-yl)heptan-1-one
CID 11991896
1-(Oxazol-2-yl)-7-phenylheptan-1-one
CID 11991808
5-[2-(7-Phenylheptanoyl)-1,3-oxazol-5-yl]pentanal
CID 76310896
1-[5-(5-Hydroxypentyl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one
CID 76328982
2-Benzoyloxazole
CID 16217750
2-Benzyloxazole
CID 5323667
Lithium(1+) ion 5-benzyl-1,3-oxazole-2-carboxylate
CID 119031047
1-[4-[[2-(Trifluoromethyl)-1,3-oxazol-5-yl]methyl]phenyl]ethanone
CID 102463238
2-Benzyl-5-ethoxyoxazole
CID 1471413
5-Benzyloxazole
CID 12214126
5-Phenyl-1,3-oxazole-2-carbaldehyde
CID 13352176
2-Benzyl-5-methyloxazole
CID 15325136

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde (CID 115086803) is 2-[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde is O=CCc1cnc(Cc2ccccc2F)o1.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde?
The InChIKey is VIDYVDHQRPWMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c13-11-4-2-1-3-9(11)7-12-14-8-10(16-12)5-6-15/h1-4,6,8H,5,7H2.
What are the key properties of 2-[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde?
2-[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde has a molecular weight of 219.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde is sourced from PubChem (CID 115086803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).