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

C16H28N4O2 — CID 119884286

IUPAC2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methylpropanamide
SMILESCc1nc(CN2CCC(CNC(=O)C(C)(C)N)CC2)oc1C
InChIInChI=1S/C16H28N4O2/c1-11-12(2)22-14(19-11)10-20-7-5-13(6-8-20)9-18-15(21)16(3,4)17/h13H,5-10,17H2,1-4H3,(H,18,21)
InChIKeyJGTWQARMKFZCRL-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.36
Rot. Bonds5

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

2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methylpropanamide (PubChem CID 119884286) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methylpropanamide
PubChem CID119884286
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methylpropanamide
SMILESCc1nc(CN2CCC(CNC(=O)C(C)(C)N)CC2)oc1C
InChIInChI=1S/C16H28N4O2/c1-11-12(2)22-14(19-11)10-20-7-5-13(6-8-20)9-18-15(21)16(3,4)17/h13H,5-10,17H2,1-4H3,(H,18,21)
InChIKeyJGTWQARMKFZCRL-UHFFFAOYSA-N
XLogP1.36
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methylpropanamide (CID 119884286) is 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methylpropanamide is Cc1nc(CN2CCC(CNC(=O)C(C)(C)N)CC2)oc1C.
What is the InChIKey of 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methylpropanamide?
The InChIKey is JGTWQARMKFZCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11-12(2)22-14(19-11)10-20-7-5-13(6-8-20)9-18-15(21)16(3,4)17/h13H,5-10,17H2,1-4H3,(H,18,21).
What are the key properties of 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methylpropanamide?
2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methylpropanamide has a molecular weight of 308.43 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 119884286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).