methyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate

C18H14F2N2O3 — CID 22581820

IUPACmethyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)noc1NCc1ccc(F)cc1
InChIInChI=1S/C18H14F2N2O3/c1-24-18(23)15-16(12-4-8-14(20)9-5-12)22-25-17(15)21-10-11-2-6-13(19)7-3-11/h2-9,21H,10H2,1H3
InChIKeyLQUCHSSTYWMNJA-UHFFFAOYSA-N
MW344.32 g/mol
LogP4.02
Rot. Bonds5

About methyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate

methyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate (PubChem CID 22581820) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate
PubChem CID22581820
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Namemethyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)noc1NCc1ccc(F)cc1
InChIInChI=1S/C18H14F2N2O3/c1-24-18(23)15-16(12-4-8-14(20)9-5-12)22-25-17(15)21-10-11-2-6-13(19)7-3-11/h2-9,21H,10H2,1H3
InChIKeyLQUCHSSTYWMNJA-UHFFFAOYSA-N
XLogP4.02
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate (CID 22581820) is methyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate is COC(=O)c1c(-c2ccc(F)cc2)noc1NCc1ccc(F)cc1.
What is the InChIKey of methyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate?
The InChIKey is LQUCHSSTYWMNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3/c1-24-18(23)15-16(12-4-8-14(20)9-5-12)22-25-17(15)21-10-11-2-6-13(19)7-3-11/h2-9,21H,10H2,1H3.
What are the key properties of methyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate?
methyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate has a molecular weight of 344.32 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 22581820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).