N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C18H26N6O2 — CID 53185780

IUPACN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NC1CCCN(c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C18H26N6O2/c1-12-15(13(2)26-22-12)8-18(25)21-14-6-5-7-24(10-14)17-9-16(23(3)4)19-11-20-17/h9,11,14H,5-8,10H2,1-4H3,(H,21,25)
InChIKeyBBTKISVHFYZLKA-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.48
Rot. Bonds5

About N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 53185780) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID53185780
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NC1CCCN(c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C18H26N6O2/c1-12-15(13(2)26-22-12)8-18(25)21-14-6-5-7-24(10-14)17-9-16(23(3)4)19-11-20-17/h9,11,14H,5-8,10H2,1-4H3,(H,21,25)
InChIKeyBBTKISVHFYZLKA-UHFFFAOYSA-N
XLogP1.48
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 53185780) is N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)NC1CCCN(c2cc(N(C)C)ncn2)C1.
What is the InChIKey of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is BBTKISVHFYZLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-12-15(13(2)26-22-12)8-18(25)21-14-6-5-7-24(10-14)17-9-16(23(3)4)19-11-20-17/h9,11,14H,5-8,10H2,1-4H3,(H,21,25).
What are the key properties of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 358.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 53185780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).