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

C24H29N3O3 — CID 155546788

IUPAC6-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESCN1CCC(c2ccc3c(c2)oc(=O)n3C(=O)NCCCCc2ccccc2)CC1
InChIInChI=1S/C24H29N3O3/c1-26-15-12-19(13-16-26)20-10-11-21-22(17-20)30-24(29)27(21)23(28)25-14-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-11,17,19H,5-6,9,12-16H2,1H3,(H,25,28)
InChIKeyYESVBHZXBSTRGV-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.98
Rot. Bonds6

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

6-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (PubChem CID 155546788) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 6-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name6-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
PubChem CID155546788
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name6-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESCN1CCC(c2ccc3c(c2)oc(=O)n3C(=O)NCCCCc2ccccc2)CC1
InChIInChI=1S/C24H29N3O3/c1-26-15-12-19(13-16-26)20-10-11-21-22(17-20)30-24(29)27(21)23(28)25-14-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-11,17,19H,5-6,9,12-16H2,1H3,(H,25,28)
InChIKeyYESVBHZXBSTRGV-UHFFFAOYSA-N
XLogP3.98
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.98
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

6-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
CID 118513804
2-oxo-N-(4-phenylbutyl)-6-piperazin-1-yl-1,3-benzoxazole-3-carboxamide;hydrochloride
CID 155522026
5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162655749
5-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide
CID 155539646
2-oxo-N-(6-phenylhexyl)-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1,3-benzoxazole-3-carboxamide
CID 162613230
5-nitro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
CID 118513794
6-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)-2-oxo-1,3-benzoxazole-3-carboxamide
CID 155521536
2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide
CID 175826583
3-methyl-6-[4-(4-phenylpiperidin-1-yl)butyl]-1,3-benzoxazol-2-one
CID 21474237
5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide
CID 118518775
2-oxo-N-(4-thiophen-2-ylbutyl)-1,3-benzoxazole-3-carboxamide
CID 118513796
2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 53124781

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 6-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (CID 155546788) is 6-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 6-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 6-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is CN1CCC(c2ccc3c(c2)oc(=O)n3C(=O)NCCCCc2ccccc2)CC1.
What is the InChIKey of 6-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The InChIKey is YESVBHZXBSTRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-26-15-12-19(13-16-26)20-10-11-21-22(17-20)30-24(29)27(21)23(28)25-14-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-11,17,19H,5-6,9,12-16H2,1H3,(H,25,28).
What are the key properties of 6-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
6-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.98, 6 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-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 155546788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).