N-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide

C20H28FN3O2 — CID 93155452

IUPACN-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(C)C(=O)c1coc(CN(Cc2ccccc2F)[C@@H](C)C(C)C)n1
InChIInChI=1S/C20H28FN3O2/c1-6-23(5)20(25)18-13-26-19(22-18)12-24(15(4)14(2)3)11-16-9-7-8-10-17(16)21/h7-10,13-15H,6,11-12H2,1-5H3/t15-/m0/s1
InChIKeyOYAUFWHFBFAENZ-HNNXBMFYSA-N
MW361.46 g/mol
LogP3.95
Rot. Bonds8

About N-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide

N-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 93155452) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is N-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID93155452
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC NameN-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(C)C(=O)c1coc(CN(Cc2ccccc2F)[C@@H](C)C(C)C)n1
InChIInChI=1S/C20H28FN3O2/c1-6-23(5)20(25)18-13-26-19(22-18)12-24(15(4)14(2)3)11-16-9-7-8-10-17(16)21/h7-10,13-15H,6,11-12H2,1-5H3/t15-/m0/s1
InChIKeyOYAUFWHFBFAENZ-HNNXBMFYSA-N
XLogP3.95
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[[(4-methoxyphenyl)methyl-(3-methylbutan-2-yl)amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42831339
[2-[[(2,4-difluorophenyl)methyl-(3-methylbutan-2-yl)amino]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42832021
2-[[[(2S)-butan-2-yl]-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-ethyl-N-methyl-1,3-oxazole-4-carboxamide
CID 93157933
2-[[(2-fluorophenyl)methyl-propylamino]methyl]-1,3-oxazole-4-carboxylic acid
CID 134708356
N-ethyl-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 46000276
2-[[(2,5-dimethylphenyl)methyl-(3-methylbutan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 42829519
N-benzyl-2-[[(3,4-dichlorophenyl)methyl-propan-2-ylamino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42829373
N-ethyl-2-[[(4-fluorophenyl)methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42833102
N-[(2S)-butan-2-yl]-2-[[(2,5-dimethylphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93155463
2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 93155511
N-benzyl-2-[[[(2R)-3-methylbutan-2-yl]-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156329
N-[(2R)-butan-2-yl]-2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 98754384

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide (CID 93155452) is N-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide is CCN(C)C(=O)c1coc(CN(Cc2ccccc2F)[C@@H](C)C(C)C)n1.
What is the InChIKey of N-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is OYAUFWHFBFAENZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-6-23(5)20(25)18-13-26-19(22-18)12-24(15(4)14(2)3)11-16-9-7-8-10-17(16)21/h7-10,13-15H,6,11-12H2,1-5H3/t15-/m0/s1.
What are the key properties of N-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
N-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 361.46 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 93155452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).