2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide

C17H25N3O2 — CID 131924897

IUPAC2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCCC#CCN1CCCC(CNC(=O)c2oc(C)nc2C)C1
InChIInChI=1S/C17H25N3O2/c1-4-5-6-9-20-10-7-8-15(12-20)11-18-17(21)16-13(2)19-14(3)22-16/h15H,4,7-12H2,1-3H3,(H,18,21)
InChIKeyOFOLDGRKSQXXNS-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.15
Rot. Bonds4

About 2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide (PubChem CID 131924897) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide
PubChem CID131924897
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCCC#CCN1CCCC(CNC(=O)c2oc(C)nc2C)C1
InChIInChI=1S/C17H25N3O2/c1-4-5-6-9-20-10-7-8-15(12-20)11-18-17(21)16-13(2)19-14(3)22-16/h15H,4,7-12H2,1-3H3,(H,18,21)
InChIKeyOFOLDGRKSQXXNS-UHFFFAOYSA-N
XLogP2.15
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-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

2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-oxazole-5-carboxamide;formic acid
CID 154913506
N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide
CID 164637885
2,4-dimethyl-N-[[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 131931577
N-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114147630
3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 131925360
2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide
CID 131915595
2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 56722115
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113273913
N-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 154789593
(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 81478360
N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 118783160
N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131942655

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide (CID 131924897) is 2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide is CCC#CCN1CCCC(CNC(=O)c2oc(C)nc2C)C1.
What is the InChIKey of 2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is OFOLDGRKSQXXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-5-6-9-20-10-7-8-15(12-20)11-18-17(21)16-13(2)19-14(3)22-16/h15H,4,7-12H2,1-3H3,(H,18,21).
What are the key properties of 2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 131924897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).