5-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide

C18H25N3O3 — CID 155539646

IUPAC5-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide
SMILESCC(C)CNC(=O)n1c(=O)oc2ccc(C3CCN(C)CC3)cc21
InChIInChI=1S/C18H25N3O3/c1-12(2)11-19-17(22)21-15-10-14(4-5-16(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)
InChIKeyQCXPHBDNSFPIHK-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.62
Rot. Bonds3

About 5-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide

5-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide (PubChem CID 155539646) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide
PubChem CID155539646
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name5-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide
SMILESCC(C)CNC(=O)n1c(=O)oc2ccc(C3CCN(C)CC3)cc21
InChIInChI=1S/C18H25N3O3/c1-12(2)11-19-17(22)21-15-10-14(4-5-16(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)
InChIKeyQCXPHBDNSFPIHK-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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 5-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide (CID 155539646) is 5-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide is CC(C)CNC(=O)n1c(=O)oc2ccc(C3CCN(C)CC3)cc21.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide?
The InChIKey is QCXPHBDNSFPIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(2)11-19-17(22)21-15-10-14(4-5-16(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 5-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide?
5-(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 5-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 155539646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).