4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one

C15H14FN3O3 — CID 155960734

IUPAC4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESCCc1ncc(Cn2c(Cc3ccc(F)cc3)noc2=O)o1
InChIInChI=1S/C15H14FN3O3/c1-2-14-17-8-12(21-14)9-19-13(18-22-15(19)20)7-10-3-5-11(16)6-4-10/h3-6,8H,2,7,9H2,1H3
InChIKeyKLNMKLNCRIVRTF-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.16
Rot. Bonds5

About 4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one

4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 155960734) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID155960734
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESCCc1ncc(Cn2c(Cc3ccc(F)cc3)noc2=O)o1
InChIInChI=1S/C15H14FN3O3/c1-2-14-17-8-12(21-14)9-19-13(18-22-15(19)20)7-10-3-5-11(16)6-4-10/h3-6,8H,2,7,9H2,1H3
InChIKeyKLNMKLNCRIVRTF-UHFFFAOYSA-N
XLogP2.16
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one with MolForge

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Related Compounds

3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one
CID 146082852
4-[(4-fluorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-one
CID 135368973
4-[(4-fluorophenyl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one
CID 142465639
5-[[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]methyl]-2-methoxybenzonitrile
CID 155959290
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 155960735
3-[(2-chloro-4-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one;3-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 158771581
3-[(4-fluorophenyl)methyl]-4-[2-(oxan-4-ylsulfanyl)ethyl]-1,2,4-oxadiazol-5-one
CID 155960733
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
CID 155959302
3-[(2-chloro-6-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-one
CID 135368950
2-ethyl-1,3-oxazole-5-carbaldehyde
CID 53417038
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080575
4-[[4-(dimethylamino)phenyl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazol-5-one
CID 167899417

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (CID 155960734) is 4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is CCc1ncc(Cn2c(Cc3ccc(F)cc3)noc2=O)o1.
What is the InChIKey of 4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is KLNMKLNCRIVRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-2-14-17-8-12(21-14)9-19-13(18-22-15(19)20)7-10-3-5-11(16)6-4-10/h3-6,8H,2,7,9H2,1H3.
What are the key properties of 4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 303.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1,3-oxazol-5-yl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 155960734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).