2-(1-aminopentyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide

C16H19N3O4 — CID 3863383

IUPAC2-(1-aminopentyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)Nc2ccc3c(c2)OCO3)co1
InChIInChI=1S/C16H19N3O4/c1-2-3-4-11(17)16-19-12(8-21-16)15(20)18-10-5-6-13-14(7-10)23-9-22-13/h5-8,11H,2-4,9,17H2,1H3,(H,18,20)
InChIKeyGWHVNWQAACLIIH-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.85
Rot. Bonds6

About 2-(1-aminopentyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide

2-(1-aminopentyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide (PubChem CID 3863383) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(1-aminopentyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopentyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide
PubChem CID3863383
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-(1-aminopentyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)Nc2ccc3c(c2)OCO3)co1
InChIInChI=1S/C16H19N3O4/c1-2-3-4-11(17)16-19-12(8-21-16)15(20)18-10-5-6-13-14(7-10)23-9-22-13/h5-8,11H,2-4,9,17H2,1H3,(H,18,20)
InChIKeyGWHVNWQAACLIIH-UHFFFAOYSA-N
XLogP2.85
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopentyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide (CID 3863383) is 2-(1-aminopentyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopentyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopentyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide is CCCCC(N)c1nc(C(=O)Nc2ccc3c(c2)OCO3)co1.
What is the InChIKey of 2-(1-aminopentyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is GWHVNWQAACLIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-2-3-4-11(17)16-19-12(8-21-16)15(20)18-10-5-6-13-14(7-10)23-9-22-13/h5-8,11H,2-4,9,17H2,1H3,(H,18,20).
What are the key properties of 2-(1-aminopentyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide?
2-(1-aminopentyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3863383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).