N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide

C22H31FN4O5 — CID 3993680

IUPACN-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCCOCCCNC(=O)c1coc(CN(CCCOCC)C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C22H31FN4O5/c1-3-30-13-7-11-24-21(28)19-16-32-20(25-19)15-27(12-8-14-31-4-2)22(29)26-18-10-6-5-9-17(18)23/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyJSFWWLIXHFTWMO-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.43
Rot. Bonds14

About N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide

N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3993680) has the molecular formula C22H31FN4O5 and a molecular weight of 450.51 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID3993680
Molecular FormulaC22H31FN4O5
Molecular Weight450.51 g/mol
Exact Mass450.23
IUPAC NameN-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCCOCCCNC(=O)c1coc(CN(CCCOCC)C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C22H31FN4O5/c1-3-30-13-7-11-24-21(28)19-16-32-20(25-19)15-27(12-8-14-31-4-2)22(29)26-18-10-6-5-9-17(18)23/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyJSFWWLIXHFTWMO-UHFFFAOYSA-N
XLogP3.43
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
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-ethoxypropyl)-2-[[3-ethoxypropyl(phenylcarbamoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3920716
2-[[(2-chlorobenzoyl)-(3-ethoxypropyl)amino]methyl]-N-(3-ethoxypropyl)-1,3-oxazole-4-carboxamide
CID 3436571
ethyl 2-[[3-ethoxypropyl-[[4-(3-ethoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]acetate
CID 5126665
N-(3-ethoxypropyl)-2-[[3-ethoxypropyl(octanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3654856
2-[[(3-chloro-2,2-dimethylpropanoyl)-(3-ethoxypropyl)amino]methyl]-N-(3-ethoxypropyl)-1,3-oxazole-4-carboxamide
CID 3645479
ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate
CID 3624648
2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3658144
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
methyl 2-[[(2,6-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4672610
2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 4567958
2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 5037359

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide (CID 3993680) is N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide is CCOCCCNC(=O)c1coc(CN(CCCOCC)C(=O)Nc2ccccc2F)n1.
What is the InChIKey of N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JSFWWLIXHFTWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O5/c1-3-30-13-7-11-24-21(28)19-16-32-20(25-19)15-27(12-8-14-31-4-2)22(29)26-18-10-6-5-9-17(18)23/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3,(H,24,28)(H,26,29).
What are the key properties of N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide?
N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 3.43, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3993680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).