2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide

C23H35N3O2 — CID 93155511

IUPAC2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(CN(Cc2nc(C(=O)NCC(C)C)co2)[C@H](C)C(C)C)c(C)c1
InChIInChI=1S/C23H35N3O2/c1-15(2)11-24-23(27)21-14-28-22(25-21)13-26(19(7)16(3)4)12-20-9-8-17(5)10-18(20)6/h8-10,14-16,19H,11-13H2,1-7H3,(H,24,27)/t19-/m1/s1
InChIKeyNSNDGQNOGGFKDR-LJQANCHMSA-N
MW385.55 g/mol
LogP4.72
Rot. Bonds9

About 2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide

2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 93155511) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID93155511
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(CN(Cc2nc(C(=O)NCC(C)C)co2)[C@H](C)C(C)C)c(C)c1
InChIInChI=1S/C23H35N3O2/c1-15(2)11-24-23(27)21-14-28-22(25-21)13-26(19(7)16(3)4)12-20-9-8-17(5)10-18(20)6/h8-10,14-16,19H,11-13H2,1-7H3,(H,24,27)/t19-/m1/s1
InChIKeyNSNDGQNOGGFKDR-LJQANCHMSA-N
XLogP4.72
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

2-[[(2,4-dimethylphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 93155518
N-[(2R)-butan-2-yl]-2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 98754384
2-[[(2,5-dimethylphenyl)methyl-(3-methylbutan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 42829519
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-[[(2,5-dimethylphenyl)methyl-(3-methylbutan-2-yl)amino]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42832010
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-ethyl-1,3-oxazole-4-carboxamide
CID 46001122
N-benzyl-2-[[benzyl-[(2,4-dimethylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 46002413
N-benzyl-2-[[(2-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42835074
2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 42835084
2-[[(3,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 1195838
2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 3549380

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (CID 93155511) is 2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide is Cc1ccc(CN(Cc2nc(C(=O)NCC(C)C)co2)[C@H](C)C(C)C)c(C)c1.
What is the InChIKey of 2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is NSNDGQNOGGFKDR-LJQANCHMSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-15(2)11-24-23(27)21-14-28-22(25-21)13-26(19(7)16(3)4)12-20-9-8-17(5)10-18(20)6/h8-10,14-16,19H,11-13H2,1-7H3,(H,24,27)/t19-/m1/s1.
What are the key properties of 2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 93155511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).