3-[(4-fluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H21FN2O2 — CID 45177526

IUPAC3-[(4-fluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(CCc1ccccc1)C(=O)C1CC(Cc2ccc(F)cc2)=NO1
InChIInChI=1S/C20H21FN2O2/c1-23(12-11-15-5-3-2-4-6-15)20(24)19-14-18(22-25-19)13-16-7-9-17(21)10-8-16/h2-10,19H,11-14H2,1H3
InChIKeyYURQTXRQRBFOKX-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.21
Rot. Bonds6

About 3-[(4-fluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-[(4-fluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 45177526) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID45177526
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name3-[(4-fluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(CCc1ccccc1)C(=O)C1CC(Cc2ccc(F)cc2)=NO1
InChIInChI=1S/C20H21FN2O2/c1-23(12-11-15-5-3-2-4-6-15)20(24)19-14-18(22-25-19)13-16-7-9-17(21)10-8-16/h2-10,19H,11-14H2,1H3
InChIKeyYURQTXRQRBFOKX-UHFFFAOYSA-N
XLogP3.21
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 45177526) is 3-[(4-fluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CN(CCc1ccccc1)C(=O)C1CC(Cc2ccc(F)cc2)=NO1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is YURQTXRQRBFOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-23(12-11-15-5-3-2-4-6-15)20(24)19-14-18(22-25-19)13-16-7-9-17(21)10-8-16/h2-10,19H,11-14H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-[(4-fluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 45177526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).