N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-3-phenylpropanamide

C21H21FN2O2 — CID 46985463

IUPACN-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-3-phenylpropanamide
SMILESCc1nc(CNC(=O)CC(c2ccccc2)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C21H21FN2O2/c1-14-20(24-15(2)26-14)13-23-21(25)12-19(16-6-4-3-5-7-16)17-8-10-18(22)11-9-17/h3-11,19H,12-13H2,1-2H3,(H,23,25)
InChIKeyOMEWOLFEDPCNSH-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.27
Rot. Bonds6

About N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-3-phenylpropanamide

N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-3-phenylpropanamide (PubChem CID 46985463) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-3-phenylpropanamide
PubChem CID46985463
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC NameN-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-3-phenylpropanamide
SMILESCc1nc(CNC(=O)CC(c2ccccc2)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C21H21FN2O2/c1-14-20(24-15(2)26-14)13-23-21(25)12-19(16-6-4-3-5-7-16)17-8-10-18(22)11-9-17/h3-11,19H,12-13H2,1-2H3,(H,23,25)
InChIKeyOMEWOLFEDPCNSH-UHFFFAOYSA-N
XLogP4.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-3-phenylpropanamide?
The IUPAC name of N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-3-phenylpropanamide (CID 46985463) is N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-3-phenylpropanamide?
The canonical SMILES for N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-3-phenylpropanamide is Cc1nc(CNC(=O)CC(c2ccccc2)c2ccc(F)cc2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-3-phenylpropanamide?
The InChIKey is OMEWOLFEDPCNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-14-20(24-15(2)26-14)13-23-21(25)12-19(16-6-4-3-5-7-16)17-8-10-18(22)11-9-17/h3-11,19H,12-13H2,1-2H3,(H,23,25).
What are the key properties of N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-3-phenylpropanamide?
N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-3-phenylpropanamide has a molecular weight of 352.41 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 46985463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).