1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide

C18H25N5O2 — CID 75479416

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCC(C)(C)c1cnc(CN2CCC(C(=O)Nc3ncccn3)CC2)o1
InChIInChI=1S/C18H25N5O2/c1-18(2,3)14-11-21-15(25-14)12-23-9-5-13(6-10-23)16(24)22-17-19-7-4-8-20-17/h4,7-8,11,13H,5-6,9-10,12H2,1-3H3,(H,19,20,22,24)
InChIKeyOZCCIPNCWNTOBF-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.61
Rot. Bonds4

About 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 75479416) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID75479416
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCC(C)(C)c1cnc(CN2CCC(C(=O)Nc3ncccn3)CC2)o1
InChIInChI=1S/C18H25N5O2/c1-18(2,3)14-11-21-15(25-14)12-23-9-5-13(6-10-23)16(24)22-17-19-7-4-8-20-17/h4,7-8,11,13H,5-6,9-10,12H2,1-3H3,(H,19,20,22,24)
InChIKeyOZCCIPNCWNTOBF-UHFFFAOYSA-N
XLogP2.61
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide 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 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide (CID 75479416) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide is CC(C)(C)c1cnc(CN2CCC(C(=O)Nc3ncccn3)CC2)o1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is OZCCIPNCWNTOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-18(2,3)14-11-21-15(25-14)12-23-9-5-13(6-10-23)16(24)22-17-19-7-4-8-20-17/h4,7-8,11,13H,5-6,9-10,12H2,1-3H3,(H,19,20,22,24).
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 75479416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).