N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide

C23H21N3O5 — CID 23767437

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc(CN(C(=O)c2ccccc2)C2CC2)on1
InChIInChI=1S/C23H21N3O5/c27-22(24-12-15-6-9-20-21(10-15)30-14-29-20)19-11-18(31-25-19)13-26(17-7-8-17)23(28)16-4-2-1-3-5-16/h1-6,9-11,17H,7-8,12-14H2,(H,24,27)
InChIKeyHQUPTYRLJLLRHA-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.14
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 23767437) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide
PubChem CID23767437
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc(CN(C(=O)c2ccccc2)C2CC2)on1
InChIInChI=1S/C23H21N3O5/c27-22(24-12-15-6-9-20-21(10-15)30-14-29-20)19-11-18(31-25-19)13-26(17-7-8-17)23(28)16-4-2-1-3-5-16/h1-6,9-11,17H,7-8,12-14H2,(H,24,27)
InChIKeyHQUPTYRLJLLRHA-UHFFFAOYSA-N
XLogP3.14
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(pentan-3-yl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23796256
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 23965402
N-(1,3-benzodioxol-5-ylmethyl)-5-[[cyclopropyl(3-phenylprop-2-enyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23987481
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzyl(3-methylbutanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23935975
5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23768938
N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-chlorophenyl)methyl-cyclohexylamino]methyl]-1,2-oxazole-3-carboxamide
CID 23825298
N-(1,3-benzodioxol-5-ylmethyl)-5-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 23904698
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 24793164
5-[[1,3-benzodioxole-5-carbonyl(2-phenylethyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23885444
1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea
CID 42723915
N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 23968520
N-[(3-chlorophenyl)methyl]-5-[[cyclopropanecarbonyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23736232

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide (CID 23767437) is N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cc(CN(C(=O)c2ccccc2)C2CC2)on1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HQUPTYRLJLLRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c27-22(24-12-15-6-9-20-21(10-15)30-14-29-20)19-11-18(31-25-19)13-26(17-7-8-17)23(28)16-4-2-1-3-5-16/h1-6,9-11,17H,7-8,12-14H2,(H,24,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 419.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23767437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).