6-(1-methylpiperidin-4-yl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide

C19H27N3O3 — CID 155528447

IUPAC6-(1-methylpiperidin-4-yl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide
SMILESCCCCCNC(=O)n1c(=O)oc2cc(C3CCN(C)CC3)ccc21
InChIInChI=1S/C19H27N3O3/c1-3-4-5-10-20-18(23)22-16-7-6-15(13-17(16)25-19(22)24)14-8-11-21(2)12-9-14/h6-7,13-14H,3-5,8-12H2,1-2H3,(H,20,23)
InChIKeyXCZRCGRPVUDNAC-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.15
Rot. Bonds5

About 6-(1-methylpiperidin-4-yl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide

6-(1-methylpiperidin-4-yl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide (PubChem CID 155528447) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 6-(1-methylpiperidin-4-yl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name6-(1-methylpiperidin-4-yl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide
PubChem CID155528447
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name6-(1-methylpiperidin-4-yl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide
SMILESCCCCCNC(=O)n1c(=O)oc2cc(C3CCN(C)CC3)ccc21
InChIInChI=1S/C19H27N3O3/c1-3-4-5-10-20-18(23)22-16-7-6-15(13-17(16)25-19(22)24)14-8-11-21(2)12-9-14/h6-7,13-14H,3-5,8-12H2,1-2H3,(H,20,23)
InChIKeyXCZRCGRPVUDNAC-UHFFFAOYSA-N
XLogP3.15
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-4-yl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 6-(1-methylpiperidin-4-yl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide (CID 155528447) is 6-(1-methylpiperidin-4-yl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 6-(1-methylpiperidin-4-yl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 6-(1-methylpiperidin-4-yl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide is CCCCCNC(=O)n1c(=O)oc2cc(C3CCN(C)CC3)ccc21.
What is the InChIKey of 6-(1-methylpiperidin-4-yl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide?
The InChIKey is XCZRCGRPVUDNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-4-5-10-20-18(23)22-16-7-6-15(13-17(16)25-19(22)24)14-8-11-21(2)12-9-14/h6-7,13-14H,3-5,8-12H2,1-2H3,(H,20,23).
What are the key properties of 6-(1-methylpiperidin-4-yl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide?
6-(1-methylpiperidin-4-yl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpiperidin-4-yl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 155528447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).