2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide

C20H26FN3O5 — CID 4567958

IUPAC2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
SMILESCOCCCNC(=O)c1coc(CN(CCCOC)C(=O)c2cccc(F)c2)n1
InChIInChI=1S/C20H26FN3O5/c1-27-10-4-8-22-19(25)17-14-29-18(23-17)13-24(9-5-11-28-2)20(26)15-6-3-7-16(21)12-15/h3,6-7,12,14H,4-5,8-11,13H2,1-2H3,(H,22,25)
InChIKeyXVEDPTZERCSSEU-UHFFFAOYSA-N
MW407.44 g/mol
LogP2.26
Rot. Bonds12

About 2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide

2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide (PubChem CID 4567958) has the molecular formula C20H26FN3O5 and a molecular weight of 407.44 g/mol. Its IUPAC name is 2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
PubChem CID4567958
Molecular FormulaC20H26FN3O5
Molecular Weight407.44 g/mol
Exact Mass407.19
IUPAC Name2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
SMILESCOCCCNC(=O)c1coc(CN(CCCOC)C(=O)c2cccc(F)c2)n1
InChIInChI=1S/C20H26FN3O5/c1-27-10-4-8-22-19(25)17-14-29-18(23-17)13-24(9-5-11-28-2)20(26)15-6-3-7-16(21)12-15/h3,6-7,12,14H,4-5,8-11,13H2,1-2H3,(H,22,25)
InChIKeyXVEDPTZERCSSEU-UHFFFAOYSA-N
XLogP2.26
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 52.26
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-(3-methoxypropyl)-2-[[3-methoxypropyl-(4-pentylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4690718
2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 5037359
2-[[(4-chloro-3-nitrobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 42766204
N-(3-methoxypropyl)-2-[[3-methoxypropyl-(2-phenylacetyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3454944
2-[[(3-methoxyphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 3945915
N-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 7271474
methyl 2-[[(4-ethylbenzoyl)-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4538081
N-(2-methoxyethyl)-2-[[2-methoxyethyl-(4-methylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4037478
ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate
CID 3624648
methyl 2-[[3-methoxypropyl-[4-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 3876938
2-[[(2-chlorobenzoyl)-(3-ethoxypropyl)amino]methyl]-N-(3-ethoxypropyl)-1,3-oxazole-4-carboxamide
CID 3436571
N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 3993680

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide (CID 4567958) is 2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide is COCCCNC(=O)c1coc(CN(CCCOC)C(=O)c2cccc(F)c2)n1.
What is the InChIKey of 2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is XVEDPTZERCSSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O5/c1-27-10-4-8-22-19(25)17-14-29-18(23-17)13-24(9-5-11-28-2)20(26)15-6-3-7-16(21)12-15/h3,6-7,12,14H,4-5,8-11,13H2,1-2H3,(H,22,25).
What are the key properties of 2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide?
2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 407.44 g/mol, XLogP of 2.26, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 4567958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).