N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide

C18H24N2O3 — CID 49377141

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide
SMILESCc1noc(C)c1CN(C)C(=O)CCCOCc1ccccc1
InChIInChI=1S/C18H24N2O3/c1-14-17(15(2)23-19-14)12-20(3)18(21)10-7-11-22-13-16-8-5-4-6-9-16/h4-6,8-9H,7,10-13H2,1-3H3
InChIKeyAUPBTZDJAJLKQW-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.25
Rot. Bonds8

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide (PubChem CID 49377141) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide
PubChem CID49377141
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide
SMILESCc1noc(C)c1CN(C)C(=O)CCCOCc1ccccc1
InChIInChI=1S/C18H24N2O3/c1-14-17(15(2)23-19-14)12-20(3)18(21)10-7-11-22-13-16-8-5-4-6-9-16/h4-6,8-9H,7,10-13H2,1-3H3
InChIKeyAUPBTZDJAJLKQW-UHFFFAOYSA-N
XLogP3.25
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199241
N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 27665797
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethyl-3-phenylbutanamide
CID 86852790
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide
CID 17430469
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
N-methoxy-N-methyl-8-phenylmethoxyoctanamide
CID 169498132
N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide
CID 94347343
N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 34677040
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 97280098
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
CID 56741232
(2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 94665811
1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide
CID 75461031

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide (CID 49377141) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide is Cc1noc(C)c1CN(C)C(=O)CCCOCc1ccccc1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide?
The InChIKey is AUPBTZDJAJLKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-14-17(15(2)23-19-14)12-20(3)18(21)10-7-11-22-13-16-8-5-4-6-9-16/h4-6,8-9H,7,10-13H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide has a molecular weight of 316.40 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide is sourced from PubChem (CID 49377141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).