N-ethyl-2-[[(2-methylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide

C23H27N3O2 — CID 93157163

IUPACN-ethyl-2-[[(2-methylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1coc(CN(Cc2ccccc2C)[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C23H27N3O2/c1-4-24-23(27)21-16-28-22(25-21)15-26(14-20-13-9-8-10-17(20)2)18(3)19-11-6-5-7-12-19/h5-13,16,18H,4,14-15H2,1-3H3,(H,24,27)/t18-/m0/s1
InChIKeyAZCUATWGGNMAAZ-SFHVURJKSA-N
MW377.49 g/mol
LogP4.50
Rot. Bonds8

About N-ethyl-2-[[(2-methylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide

N-ethyl-2-[[(2-methylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 93157163) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-ethyl-2-[[(2-methylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[(2-methylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID93157163
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-ethyl-2-[[(2-methylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1coc(CN(Cc2ccccc2C)[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C23H27N3O2/c1-4-24-23(27)21-16-28-22(25-21)15-26(14-20-13-9-8-10-17(20)2)18(3)19-11-6-5-7-12-19/h5-13,16,18H,4,14-15H2,1-3H3,(H,24,27)/t18-/m0/s1
InChIKeyAZCUATWGGNMAAZ-SFHVURJKSA-N
XLogP4.50
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2,5-dimethylphenyl)methyl-(1-phenylethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 46001122
2-[[(2-methylphenyl)methyl-(1-phenylethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 46001176
N-benzyl-2-[[(2-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42835074
N-ethyl-2-[[(3-fluorophenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93157141
N-[(2S)-butan-2-yl]-2-[[(2,4-dimethylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93157192
2-[[(2,5-dimethylphenyl)methyl-(1-phenylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 46001116
2-[[(2-methoxyphenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-[(1R)-1-phenylethyl]-1,3-oxazole-4-carboxamide
CID 98627942
2-[[butan-2-yl-[(2-methoxyphenyl)methyl]amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 42835126
2-[[1-phenylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 46002301
2-[[(2,4-dimethylphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 93155518
2-[[(2-methoxyphenyl)methyl-(1-phenylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42835150
2-[[furan-2-ylmethyl(1-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 42833665

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[(2-methylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-ethyl-2-[[(2-methylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide (CID 93157163) is N-ethyl-2-[[(2-methylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[[(2-methylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-[[(2-methylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide is CCNC(=O)c1coc(CN(Cc2ccccc2C)[C@@H](C)c2ccccc2)n1.
What is the InChIKey of N-ethyl-2-[[(2-methylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is AZCUATWGGNMAAZ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-4-24-23(27)21-16-28-22(25-21)15-26(14-20-13-9-8-10-17(20)2)18(3)19-11-6-5-7-12-19/h5-13,16,18H,4,14-15H2,1-3H3,(H,24,27)/t18-/m0/s1.
What are the key properties of N-ethyl-2-[[(2-methylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide?
N-ethyl-2-[[(2-methylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[(2-methylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 93157163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).