N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide

C21H27N3O4 — CID 39702422

IUPACN-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)COc3ccc(C(C)C)cc3)CC2)no1
InChIInChI=1S/C21H27N3O4/c1-14(2)16-4-6-18(7-5-16)27-13-20(25)24-10-8-17(9-11-24)21(26)22-19-12-15(3)28-23-19/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,22,23,26)
InChIKeyIDEOSNYAOKSBFB-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.36
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide (PubChem CID 39702422) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
PubChem CID39702422
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)COc3ccc(C(C)C)cc3)CC2)no1
InChIInChI=1S/C21H27N3O4/c1-14(2)16-4-6-18(7-5-16)27-13-20(25)24-10-8-17(9-11-24)21(26)22-19-12-15(3)28-23-19/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,22,23,26)
InChIKeyIDEOSNYAOKSBFB-UHFFFAOYSA-N
XLogP3.36
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 39701615
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
CID 90602103
ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate
CID 1082805
1-[2-(4-methoxyphenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39700872
1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39700740
1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39702209
1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030415
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781449
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931242
1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 51300270
1-N-(4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 30940077

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide (CID 39702422) is N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)COc3ccc(C(C)C)cc3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide?
The InChIKey is IDEOSNYAOKSBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14(2)16-4-6-18(7-5-16)27-13-20(25)24-10-8-17(9-11-24)21(26)22-19-12-15(3)28-23-19/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,22,23,26).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 39702422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).