5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide

C18H24N2O5 — CID 46097321

IUPAC5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCOCCCNC(=O)c1c(C)noc1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H24N2O5/c1-5-24-8-6-7-19-18(21)16-12(2)20-25-17(16)13-9-14(22-3)11-15(10-13)23-4/h9-11H,5-8H2,1-4H3,(H,19,21)
InChIKeyYCCHLMIYIGVDAB-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.82
Rot. Bonds9

About 5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide

5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46097321) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID46097321
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCOCCCNC(=O)c1c(C)noc1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H24N2O5/c1-5-24-8-6-7-19-18(21)16-12(2)20-25-17(16)13-9-14(22-3)11-15(10-13)23-4/h9-11H,5-8H2,1-4H3,(H,19,21)
InChIKeyYCCHLMIYIGVDAB-UHFFFAOYSA-N
XLogP2.82
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096975
5-(3,5-dimethoxyphenyl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 46097397
5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110677065
N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46096966
N-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 46097083
N-[(2-chloro-6-methylphenyl)methyl]-5-(3,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46097379
3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 46097017
N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46093958
N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001838
5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide
CID 46097019
5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 92757648
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide (CID 46097321) is 5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide is CCOCCCNC(=O)c1c(C)noc1-c1cc(OC)cc(OC)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is YCCHLMIYIGVDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-5-24-8-6-7-19-18(21)16-12(2)20-25-17(16)13-9-14(22-3)11-15(10-13)23-4/h9-11H,5-8H2,1-4H3,(H,19,21).
What are the key properties of 5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide?
5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).