5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide

C20H27N3O3 — CID 162655749

IUPAC5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
SMILESCN1CCC(c2cn(C(=O)NCCCCc3ccccc3)c(=O)o2)CC1
InChIInChI=1S/C20H27N3O3/c1-22-13-10-17(11-14-22)18-15-23(20(25)26-18)19(24)21-12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,15,17H,5-6,9-14H2,1H3,(H,21,24)
InChIKeyZFOHAORPVIPQPR-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.83
Rot. Bonds6

About 5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide

5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide (PubChem CID 162655749) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
PubChem CID162655749
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
SMILESCN1CCC(c2cn(C(=O)NCCCCc3ccccc3)c(=O)o2)CC1
InChIInChI=1S/C20H27N3O3/c1-22-13-10-17(11-14-22)18-15-23(20(25)26-18)19(24)21-12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,15,17H,5-6,9-14H2,1H3,(H,21,24)
InChIKeyZFOHAORPVIPQPR-UHFFFAOYSA-N
XLogP2.83
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.83
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-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
CID 155546788
5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162656601
5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162663658
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide
CID 156708196
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide
CID 175826583
1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea
CID 68749941
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
3-methyl-1-(3-phenylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 102781918
3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121105872

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The IUPAC name of 5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide (CID 162655749) is 5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide is CN1CCC(c2cn(C(=O)NCCCCc3ccccc3)c(=O)o2)CC1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The InChIKey is ZFOHAORPVIPQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-22-13-10-17(11-14-22)18-15-23(20(25)26-18)19(24)21-12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,15,17H,5-6,9-14H2,1H3,(H,21,24).
What are the key properties of 5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.83, 6 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)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide is sourced from PubChem (CID 162655749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).