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

C18H27N5O2 — CID 84585206

IUPAC3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCCC(CC)c1cc(CNC(=O)N2CCCC(c3ncc[nH]3)C2)on1
InChIInChI=1S/C18H27N5O2/c1-3-13(4-2)16-10-15(25-22-16)11-21-18(24)23-9-5-6-14(12-23)17-19-7-8-20-17/h7-8,10,13-14H,3-6,9,11-12H2,1-2H3,(H,19,20)(H,21,24)
InChIKeyPMHKXZNKOXHWEF-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.39
Rot. Bonds6

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

3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide (PubChem CID 84585206) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
PubChem CID84585206
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCCC(CC)c1cc(CNC(=O)N2CCCC(c3ncc[nH]3)C2)on1
InChIInChI=1S/C18H27N5O2/c1-3-13(4-2)16-10-15(25-22-16)11-21-18(24)23-9-5-6-14(12-23)17-19-7-8-20-17/h7-8,10,13-14H,3-6,9,11-12H2,1-2H3,(H,19,20)(H,21,24)
InChIKeyPMHKXZNKOXHWEF-UHFFFAOYSA-N
XLogP3.39
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 5309956
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 71856104
N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 71867907
N-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 71892864
(5-Cyclopropyl-1,2-oxazol-3-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 72044150
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 72135633
(5-Cyclopropyl-1,2-oxazol-3-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 72143160
5-Isobutyl-1'-[(5-methylisoxazol-3-yl)carbonyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72840440
(1S*,5R*)-6-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133111395
(1S*,5R*)-3-[(4-methyl-1H-imidazol-5-yl)methyl]-6-[(3-methylisoxazol-5-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133136652
1-[(3-ethylisoxazol-5-yl)methyl]-N-[4-(2-methyl-1H-imidazol-1-yl)phenyl]piperidine-3-carboxamide
CID 72891129
(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 75529726

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide (CID 84585206) is 3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide is CCC(CC)c1cc(CNC(=O)N2CCCC(c3ncc[nH]3)C2)on1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
The InChIKey is PMHKXZNKOXHWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-13(4-2)16-10-15(25-22-16)11-21-18(24)23-9-5-6-14(12-23)17-19-7-8-20-17/h7-8,10,13-14H,3-6,9,11-12H2,1-2H3,(H,19,20)(H,21,24).
What are the key properties of 3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 84585206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).