N-ethyl-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide

C25H30FN3O2 — CID 46000276

IUPACN-ethyl-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(C)C(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C25H30FN3O2/c1-5-28(4)25(30)23-17-31-24(27-23)16-29(15-20-8-12-22(26)13-9-20)14-19-6-10-21(11-7-19)18(2)3/h6-13,17-18H,5,14-16H2,1-4H3
InChIKeyWGTNMWMMROWQOV-UHFFFAOYSA-N
MW423.53 g/mol
LogP5.23
Rot. Bonds9

About N-ethyl-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide

N-ethyl-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 46000276) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is N-ethyl-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID46000276
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC NameN-ethyl-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(C)C(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C25H30FN3O2/c1-5-28(4)25(30)23-17-31-24(27-23)16-29(15-20-8-12-22(26)13-9-20)14-19-6-10-21(11-7-19)18(2)3/h6-13,17-18H,5,14-16H2,1-4H3
InChIKeyWGTNMWMMROWQOV-UHFFFAOYSA-N
XLogP5.23
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.53
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-ethyl-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide (CID 46000276) is N-ethyl-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide is CCN(C)C(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-ethyl-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is WGTNMWMMROWQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-5-28(4)25(30)23-17-31-24(27-23)16-29(15-20-8-12-22(26)13-9-20)14-19-6-10-21(11-7-19)18(2)3/h6-13,17-18H,5,14-16H2,1-4H3.
What are the key properties of N-ethyl-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
N-ethyl-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 423.53 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46000276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).