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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Related Compounds

N-ethyl-2-[[(4-fluorophenyl)methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42833102
N-[(2R)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156787
1-[4-[2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42833106
2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide
CID 46001283
2-[[(2,4-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N-diethyl-1,3-oxazole-4-carboxamide
CID 42833129
2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42831475
N-ethyl-2-[[(4-methoxyphenyl)methyl-(3-methylbutan-2-yl)amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42831339
N-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93097615
2-[[(3,4-dichlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 42829401
N-[(2R)-butan-2-yl]-2-[[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156801
2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 46001286
N-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 93155452

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).