5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide

C20H23N3O5 — CID 23768938

IUPAC5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1cc(CN(C(=O)c2ccc3c(c2)OCO3)C2CCCC2)on1
InChIInChI=1S/C20H23N3O5/c1-2-21-19(24)16-10-15(28-22-16)11-23(14-5-3-4-6-14)20(25)13-7-8-17-18(9-13)27-12-26-17/h7-10,14H,2-6,11-12H2,1H3,(H,21,24)
InChIKeyKHVADAMQYWFYMB-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.74
Rot. Bonds6

About 5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide

5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 23768938) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
PubChem CID23768938
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1cc(CN(C(=O)c2ccc3c(c2)OCO3)C2CCCC2)on1
InChIInChI=1S/C20H23N3O5/c1-2-21-19(24)16-10-15(28-22-16)11-23(14-5-3-4-6-14)20(25)13-7-8-17-18(9-13)27-12-26-17/h7-10,14H,2-6,11-12H2,1H3,(H,21,24)
InChIKeyKHVADAMQYWFYMB-UHFFFAOYSA-N
XLogP2.74
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[cyclohexanecarbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23792491
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23767437
5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23852983
5-[[1,3-benzodioxole-5-carbonyl(pentan-3-yl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23940608
5-[[cyclohexyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23960033
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 8875131
N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-chlorophenyl)methyl-cyclohexylamino]methyl]-1,2-oxazole-3-carboxamide
CID 23825298
5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23933174
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23907301
4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
CID 119317902
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide
CID 18281010

Frequently Asked Questions

What is the IUPAC name of 5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide (CID 23768938) is 5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide is CCNC(=O)c1cc(CN(C(=O)c2ccc3c(c2)OCO3)C2CCCC2)on1.
What is the InChIKey of 5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is KHVADAMQYWFYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-2-21-19(24)16-10-15(28-22-16)11-23(14-5-3-4-6-14)20(25)13-7-8-17-18(9-13)27-12-26-17/h7-10,14H,2-6,11-12H2,1H3,(H,21,24).
What are the key properties of 5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide?
5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23768938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).