[2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone

C25H29N3O3 — CID 46001316

IUPAC[2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(CN(Cc2ccccc2)Cc2nc(C(=O)N3CCOCC3)co2)c1
InChIInChI=1S/C25H29N3O3/c1-19-8-9-20(2)22(14-19)16-27(15-21-6-4-3-5-7-21)17-24-26-23(18-31-24)25(29)28-10-12-30-13-11-28/h3-9,14,18H,10-13,15-17H2,1-2H3
InChIKeyYUZWAVNYQAALBD-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.97
Rot. Bonds7

About [2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone

[2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 46001316) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is [2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
PubChem CID46001316
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name[2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(CN(Cc2ccccc2)Cc2nc(C(=O)N3CCOCC3)co2)c1
InChIInChI=1S/C25H29N3O3/c1-19-8-9-20(2)22(14-19)16-27(15-21-6-4-3-5-7-21)17-24-26-23(18-31-24)25(29)28-10-12-30-13-11-28/h3-9,14,18H,10-13,15-17H2,1-2H3
InChIKeyYUZWAVNYQAALBD-UHFFFAOYSA-N
XLogP3.97
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(2,5-dimethylphenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 93157084
[2-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 42834872
[2-[[1,3-benzodioxol-5-ylmethyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 42832206
2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-N-[(2S)-butan-2-yl]-1,3-oxazole-4-carboxamide
CID 93157238
2-[[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 46000278
[2-[[(2,3-dichlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 46000417
N-benzyl-2-[[benzyl-[(2,4-dimethylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 46002413
[2-[[(2,5-dimethylphenyl)methyl-(3-methylbutan-2-yl)amino]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42832010
1-[4-[2-[[cyclopropyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42834595
2-[[(2,5-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-ethyl-N-methyl-1,3-oxazole-4-carboxamide
CID 42834757
ethyl 1-[2-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate
CID 46001301
2-[[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
CID 46000284

Frequently Asked Questions

What is the IUPAC name of [2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone (CID 46001316) is [2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone is Cc1ccc(C)c(CN(Cc2ccccc2)Cc2nc(C(=O)N3CCOCC3)co2)c1.
What is the InChIKey of [2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is YUZWAVNYQAALBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-19-8-9-20(2)22(14-19)16-27(15-21-6-4-3-5-7-21)17-24-26-23(18-31-24)25(29)28-10-12-30-13-11-28/h3-9,14,18H,10-13,15-17H2,1-2H3.
What are the key properties of [2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
[2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 419.53 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 46001316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).