4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde

C18H18FNO3 — CID 126567459

IUPAC4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde
SMILESCOc1ccc(F)c(-c2noc(C=O)c2C2=CCCC2(C)C)c1
InChIInChI=1S/C18H18FNO3/c1-18(2)8-4-5-13(18)16-15(10-21)23-20-17(16)12-9-11(22-3)6-7-14(12)19/h5-7,9-10H,4,8H2,1-3H3
InChIKeyPSDDAZGBXJQIFX-UHFFFAOYSA-N
MW315.34 g/mol
LogP4.51
Rot. Bonds4

About 4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde

4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde (PubChem CID 126567459) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde
PubChem CID126567459
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde
SMILESCOc1ccc(F)c(-c2noc(C=O)c2C2=CCCC2(C)C)c1
InChIInChI=1S/C18H18FNO3/c1-18(2)8-4-5-13(18)16-15(10-21)23-20-17(16)12-9-11(22-3)6-7-14(12)19/h5-7,9-10H,4,8H2,1-3H3
InChIKeyPSDDAZGBXJQIFX-UHFFFAOYSA-N
XLogP4.51
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-cyclopropyl-3-[3-[(Z)-2-[4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-5-yl]ethenyl]phenyl]propanoic acid;sulfane
CID 157118309
3-[[5-chloro-4-(1-cyclopropyl-3-methylbutyl)-2-pyridinyl]oxymethyl]-4-(5,5-dimethylcyclopenten-1-yl)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazole
CID 145258884
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220437
2-[4-(bromomethyl)-2-(5,5-dimethylcyclopenten-1-yl)phenyl]-1-fluoro-4-methoxybenzene;[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol
CID 158825208
2-[4-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]acetaldehyde
CID 143977218
3-[[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]methyl]-1,2-oxazole
CID 143788584
4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde
CID 172909455
[5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]methanol
CID 126567428
(1'R,3S)-5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carbaldehyde
CID 88914940
3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 83810753
4-(bromomethyl)-5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)pyrazole
CID 126567352
4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876954

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde?
The IUPAC name of 4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde (CID 126567459) is 4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for 4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for 4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde is COc1ccc(F)c(-c2noc(C=O)c2C2=CCCC2(C)C)c1.
What is the InChIKey of 4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde?
The InChIKey is PSDDAZGBXJQIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-18(2)8-4-5-13(18)16-15(10-21)23-20-17(16)12-9-11(22-3)6-7-14(12)19/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of 4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde?
4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde has a molecular weight of 315.34 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 126567459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).