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

C18H25N3O3 — CID 155522468

IUPAC6-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide
SMILESCC(C)CNC(=O)n1c(=O)oc2cc(C3CCN(C)CC3)ccc21
InChIInChI=1S/C18H25N3O3/c1-12(2)11-19-17(22)21-15-5-4-14(10-16(15)24-18(21)23)13-6-8-20(3)9-7-13/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,19,22)
InChIKeyAYXQGWOLRJUITD-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.62
Rot. Bonds3

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

6-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide (PubChem CID 155522468) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name6-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide
PubChem CID155522468
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name6-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide
SMILESCC(C)CNC(=O)n1c(=O)oc2cc(C3CCN(C)CC3)ccc21
InChIInChI=1S/C18H25N3O3/c1-12(2)11-19-17(22)21-15-5-4-14(10-16(15)24-18(21)23)13-6-8-20(3)9-7-13/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,19,22)
InChIKeyAYXQGWOLRJUITD-UHFFFAOYSA-N
XLogP2.62
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide with MolForge

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Related Compounds

US10226452, Example 26
CID 118513812
3-[2-(4-Phenylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 59630039
3-benzyl-6-methylbenzo[d]oxazol-2(3H)-one
CID 52950186
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-1,3-benzoxazol-2-one
CID 10408385
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2973944
6-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-3H-benzooxazol-2-one
CID 10783792
6-{2-[((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amino]-ethyl}-3H-benzooxazol-2-one
CID 10808906
2-Oxo-N-(4-phenylbutyl)-3(2h)-benzoxazolecarboxamide
CID 101913545
6-(4-Fluorophenyl)-2-oxo-N-(4-phenylbutyl)benzo[d]oxazole-3(2H)-carboxamide
CID 101913546
US10226452, Example 18
CID 118513786
N-[4-(4-nitrophenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide
CID 118513792
US10226452, Example 23
CID 118513793

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 6-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide (CID 155522468) is 6-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 6-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 6-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide is CC(C)CNC(=O)n1c(=O)oc2cc(C3CCN(C)CC3)ccc21.
What is the InChIKey of 6-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide?
The InChIKey is AYXQGWOLRJUITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(2)11-19-17(22)21-15-5-4-14(10-16(15)24-18(21)23)13-6-8-20(3)9-7-13/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,19,22).
What are the key properties of 6-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide?
6-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.62, 3 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)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 155522468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).