4-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde

C11H10FNO2 — CID 154715179

IUPAC4-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde
SMILESO=Cc1ccc(C2=NCC(CF)O2)cc1
InChIInChI=1S/C11H10FNO2/c12-5-10-6-13-11(15-10)9-3-1-8(7-14)2-4-9/h1-4,7,10H,5-6H2
InChIKeyQSAJTCDHFDJCDO-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.61
Rot. Bonds3

About 4-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde

4-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde (PubChem CID 154715179) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 4-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde
PubChem CID154715179
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name4-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde
SMILESO=Cc1ccc(C2=NCC(CF)O2)cc1
InChIInChI=1S/C11H10FNO2/c12-5-10-6-13-11(15-10)9-3-1-8(7-14)2-4-9/h1-4,7,10H,5-6H2
InChIKeyQSAJTCDHFDJCDO-UHFFFAOYSA-N
XLogP1.61
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.61
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

1-[4-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one
CID 10799530
Methyl 4-[5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzoate
CID 134960292
Methyl 4-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate
CID 101417790
Methyl 4-(4,5-dihydrooxazol-2-yl)benzoate
CID 10703416
Methyl 4-(methyliminomethyl)benzoate
CID 11435260
4-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)benzophenone
CID 70884173
Methyl 4-[(2-methoxy-2-oxoethyl)iminomethyl]benzoate
CID 102201539
4-[6-(1,1,2,2,2-Pentafluoroethyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]benzaldehyde
CID 18671301
cyclobutyl-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]methanone
CID 58631101
1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone
CID 58631144
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorobenzaldehyde
CID 86617888
4-(Trifluoromethyl)benzoyl chloride;2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 87197016

Frequently Asked Questions

What is the IUPAC name of 4-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde?
The IUPAC name of 4-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde (CID 154715179) is 4-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde.
What is the SMILES notation for 4-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde?
The canonical SMILES for 4-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde is O=Cc1ccc(C2=NCC(CF)O2)cc1.
What is the InChIKey of 4-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde?
The InChIKey is QSAJTCDHFDJCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c12-5-10-6-13-11(15-10)9-3-1-8(7-14)2-4-9/h1-4,7,10H,5-6H2.
What are the key properties of 4-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde?
4-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde has a molecular weight of 207.20 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde is sourced from PubChem (CID 154715179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).