5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide

C16H18N2O4 — CID 46087349

IUPAC5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C16H18N2O4/c1-2-3-4-7-17-16(19)12-9-14(22-18-12)11-5-6-13-15(8-11)21-10-20-13/h5-6,8-9H,2-4,7,10H2,1H3,(H,17,19)
InChIKeyPCHUQDLARNEMPG-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.99
Rot. Bonds6

About 5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide

5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide (PubChem CID 46087349) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide
PubChem CID46087349
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C16H18N2O4/c1-2-3-4-7-17-16(19)12-9-14(22-18-12)11-5-6-13-15(8-11)21-10-20-13/h5-6,8-9H,2-4,7,10H2,1H3,(H,17,19)
InChIKeyPCHUQDLARNEMPG-UHFFFAOYSA-N
XLogP2.99
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(1,3-benzodioxol-5-yl)-N-butyl-1,2-oxazole-3-carboxamide
CID 15994188
5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide
CID 41098515
5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 46087404
5-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 15993268
5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide
CID 15988831
5-(4-bromophenyl)-N-butyl-1,2-oxazole-3-carboxamide
CID 22427396
5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 110317131
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093805
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39444927
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 15988828
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pentylthiophene-2-carboxamide
CID 35812191

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide (CID 46087349) is 5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide is CCCCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide?
The InChIKey is PCHUQDLARNEMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-3-4-7-17-16(19)12-9-14(22-18-12)11-5-6-13-15(8-11)21-10-20-13/h5-6,8-9H,2-4,7,10H2,1H3,(H,17,19).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46087349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).