1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]imidazole-2-carbaldehyde

C14H10FN3O2 — CID 56658071

IUPAC1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]imidazole-2-carbaldehyde
SMILESO=Cc1nccn1Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H10FN3O2/c15-11-3-1-10(2-4-11)14-17-12(9-20-14)7-18-6-5-16-13(18)8-19/h1-6,8-9H,7H2
InChIKeyZKCQBJWZKRJFTM-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.54
Rot. Bonds4

About 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]imidazole-2-carbaldehyde

1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]imidazole-2-carbaldehyde (PubChem CID 56658071) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]imidazole-2-carbaldehyde
PubChem CID56658071
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]imidazole-2-carbaldehyde
SMILESO=Cc1nccn1Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H10FN3O2/c15-11-3-1-10(2-4-11)14-17-12(9-20-14)7-18-6-5-16-13(18)8-19/h1-6,8-9H,7H2
InChIKeyZKCQBJWZKRJFTM-UHFFFAOYSA-N
XLogP2.54
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-{[2-(2,3-Difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-piperazinyl)-2,5-dimethylpyrazine
CID 16187555
(S)-2-(2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenyl)oxazole
CID 44574075
(R)-2-(2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenyl)oxazole
CID 44574076
2-(2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)-5-fluorophenyl)oxazole
CID 44574133
2-(2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)-4-fluorophenyl)oxazole
CID 44574134
5-(Imidazol-1-ylmethyl)-2-phenyl-1,3-oxazole
CID 137644560
5-(3-Imidazol-1-ylpropylamino)-2-phenyl-1,3-oxazole-4-carbonitrile
CID 3146501
(4-fluorophenyl)(8-methyl-3-(2-phenyloxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 53482596
(4-fluorophenyl)(3-(2-phenyloxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 67453799
4-[2-(1-Methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole
CID 165414994
1-Benzyl-2-furan-2-yl-1H-imidazole
CID 977250
2-(2,5-Difluorophenyl)-5-methyl-4-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]oxazole
CID 16187311

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]imidazole-2-carbaldehyde?
The IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]imidazole-2-carbaldehyde (CID 56658071) is 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]imidazole-2-carbaldehyde.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]imidazole-2-carbaldehyde?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]imidazole-2-carbaldehyde is O=Cc1nccn1Cc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]imidazole-2-carbaldehyde?
The InChIKey is ZKCQBJWZKRJFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-11-3-1-10(2-4-11)14-17-12(9-20-14)7-18-6-5-16-13(18)8-19/h1-6,8-9H,7H2.
What are the key properties of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]imidazole-2-carbaldehyde?
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]imidazole-2-carbaldehyde has a molecular weight of 271.25 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]imidazole-2-carbaldehyde is sourced from PubChem (CID 56658071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).