N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

C20H32N4O3 — CID 71883290

IUPACN-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)NCC3CCCCCCC3)CC2)no1
InChIInChI=1S/C20H32N4O3/c1-15-13-18(23-27-15)19(25)22-17-9-11-24(12-10-17)20(26)21-14-16-7-5-3-2-4-6-8-16/h13,16-17H,2-12,14H2,1H3,(H,21,26)(H,22,25)
InChIKeyJYAMLUXCSNDYKY-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.25
Rot. Bonds4

About N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 71883290) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID71883290
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)NCC3CCCCCCC3)CC2)no1
InChIInChI=1S/C20H32N4O3/c1-15-13-18(23-27-15)19(25)22-17-9-11-24(12-10-17)20(26)21-14-16-7-5-3-2-4-6-8-16/h13,16-17H,2-12,14H2,1H3,(H,21,26)(H,22,25)
InChIKeyJYAMLUXCSNDYKY-UHFFFAOYSA-N
XLogP3.25
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47028354
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108563814
5-methyl-N-[(3S)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-1,2-oxazole-3-carboxamide
CID 96576211
N-(4-aminocyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119477538
5-methyl-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 17173829
N-(cyclopentylmethyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47071744
5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47800468
N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562435
N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 134349292
N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 90498743
5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42377077
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104957455

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 71883290) is N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(C(=O)NCC3CCCCCCC3)CC2)no1.
What is the InChIKey of N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is JYAMLUXCSNDYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-15-13-18(23-27-15)19(25)22-17-9-11-24(12-10-17)20(26)21-14-16-7-5-3-2-4-6-8-16/h13,16-17H,2-12,14H2,1H3,(H,21,26)(H,22,25).
What are the key properties of N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71883290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).