N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(methylamino)butanamide

C17H30N4O2 — CID 119884290

IUPACN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1
InChIInChI=1S/C17H30N4O2/c1-13-14(2)23-17(20-13)12-21-9-6-15(7-10-21)11-19-16(22)5-4-8-18-3/h15,18H,4-12H2,1-3H3,(H,19,22)
InChIKeyIOQWMWPHLQFYAU-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.62
Rot. Bonds8

About N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(methylamino)butanamide

N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(methylamino)butanamide (PubChem CID 119884290) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(methylamino)butanamide
PubChem CID119884290
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1
InChIInChI=1S/C17H30N4O2/c1-13-14(2)23-17(20-13)12-21-9-6-15(7-10-21)11-19-16(22)5-4-8-18-3/h15,18H,4-12H2,1-3H3,(H,19,22)
InChIKeyIOQWMWPHLQFYAU-UHFFFAOYSA-N
XLogP1.62
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(methylamino)butanamide?
The IUPAC name of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(methylamino)butanamide (CID 119884290) is N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(methylamino)butanamide is CNCCCC(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1.
What is the InChIKey of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(methylamino)butanamide?
The InChIKey is IOQWMWPHLQFYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-13-14(2)23-17(20-13)12-21-9-6-15(7-10-21)11-19-16(22)5-4-8-18-3/h15,18H,4-12H2,1-3H3,(H,19,22).
What are the key properties of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(methylamino)butanamide?
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(methylamino)butanamide has a molecular weight of 322.45 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119884290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).