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

C17H25N5O2 — CID 120933212

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)(C)c1cnc(CNC(=O)C2(n3cccn3)CCNCC2)o1
InChIInChI=1S/C17H25N5O2/c1-16(2,3)13-11-19-14(24-13)12-20-15(23)17(5-8-18-9-6-17)22-10-4-7-21-22/h4,7,10-11,18H,5-6,8-9,12H2,1-3H3,(H,20,23)
InChIKeyLOADSKBRDKDKHQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.56
Rot. Bonds4

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

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120933212) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120933212
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)(C)c1cnc(CNC(=O)C2(n3cccn3)CCNCC2)o1
InChIInChI=1S/C17H25N5O2/c1-16(2,3)13-11-19-14(24-13)12-20-15(23)17(5-8-18-9-6-17)22-10-4-7-21-22/h4,7,10-11,18H,5-6,8-9,12H2,1-3H3,(H,20,23)
InChIKeyLOADSKBRDKDKHQ-UHFFFAOYSA-N
XLogP1.56
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-pyrazol-1-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 N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120933212) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CC(C)(C)c1cnc(CNC(=O)C2(n3cccn3)CCNCC2)o1.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is LOADSKBRDKDKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-16(2,3)13-11-19-14(24-13)12-20-15(23)17(5-8-18-9-6-17)22-10-4-7-21-22/h4,7,10-11,18H,5-6,8-9,12H2,1-3H3,(H,20,23).
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120933212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).