4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide

C16H27N3O3 — CID 119804378

IUPAC4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCCC(CC)c1cc(CNC(=O)C2(OC)CCNCC2)on1
InChIInChI=1S/C16H27N3O3/c1-4-12(5-2)14-10-13(22-19-14)11-18-15(20)16(21-3)6-8-17-9-7-16/h10,12,17H,4-9,11H2,1-3H3,(H,18,20)
InChIKeyASUSAJBLRNRQAD-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.96
Rot. Bonds7

About 4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide

4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 119804378) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID119804378
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCCC(CC)c1cc(CNC(=O)C2(OC)CCNCC2)on1
InChIInChI=1S/C16H27N3O3/c1-4-12(5-2)14-10-13(22-19-14)11-18-15(20)16(21-3)6-8-17-9-7-16/h10,12,17H,4-9,11H2,1-3H3,(H,18,20)
InChIKeyASUSAJBLRNRQAD-UHFFFAOYSA-N
XLogP1.96
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71994479
1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 111474136
4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
CID 113266923
N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide
CID 136564104
2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride
CID 119804379
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 119861868
ethyl 4-[N'-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111511251
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119730034
N-[[4-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718289
4-methoxy-N-(2-methylpropyl)piperidine-4-carboxamide
CID 119673792

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide (CID 119804378) is 4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide is CCC(CC)c1cc(CNC(=O)C2(OC)CCNCC2)on1.
What is the InChIKey of 4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ASUSAJBLRNRQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-4-12(5-2)14-10-13(22-19-14)11-18-15(20)16(21-3)6-8-17-9-7-16/h10,12,17H,4-9,11H2,1-3H3,(H,18,20).
What are the key properties of 4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119804378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).