N'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide

C18H23N3O4 — CID 46993888

IUPACN'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide
SMILESCOc1ccc(CN(CC(C)C)C(=O)C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C18H23N3O4/c1-12(2)10-21(11-14-5-7-15(24-4)8-6-14)18(23)17(22)19-16-9-13(3)25-20-16/h5-9,12H,10-11H2,1-4H3,(H,19,20,22)
InChIKeyXAZWFMFHPOMRSV-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.61
Rot. Bonds6

About N'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide

N'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide (PubChem CID 46993888) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide
PubChem CID46993888
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide
SMILESCOc1ccc(CN(CC(C)C)C(=O)C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C18H23N3O4/c1-12(2)10-21(11-14-5-7-15(24-4)8-6-14)18(23)17(22)19-16-9-13(3)25-20-16/h5-9,12H,10-11H2,1-4H3,(H,19,20,22)
InChIKeyXAZWFMFHPOMRSV-UHFFFAOYSA-N
XLogP2.61
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide
CID 47263951
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8770322
2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768892
(2S)-2-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 27284466
2-[acetyl(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813520
1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812106
3-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)butanamide
CID 42768880
3-[acetyl(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113116105
N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 3153701
N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47263973
2-(2,4-dimethoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 19058874
(2R)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7959640

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide (CID 46993888) is N'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide is COc1ccc(CN(CC(C)C)C(=O)C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide?
The InChIKey is XAZWFMFHPOMRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12(2)10-21(11-14-5-7-15(24-4)8-6-14)18(23)17(22)19-16-9-13(3)25-20-16/h5-9,12H,10-11H2,1-4H3,(H,19,20,22).
What are the key properties of N'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide?
N'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide has a molecular weight of 345.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide is sourced from PubChem (CID 46993888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).