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

C17H25N5O2 — CID 120937346

IUPACN-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCc1noc(CC)c1CNC(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H25N5O2/c1-3-14-13(15(4-2)24-21-14)12-19-16(23)17(6-9-18-10-7-17)22-11-5-8-20-22/h5,8,11,18H,3-4,6-7,9-10,12H2,1-2H3,(H,19,23)
InChIKeyILKRQXQGTHAXER-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.39
Rot. Bonds6

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

N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120937346) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120937346
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCc1noc(CC)c1CNC(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H25N5O2/c1-3-14-13(15(4-2)24-21-14)12-19-16(23)17(6-9-18-10-7-17)22-11-5-8-20-22/h5,8,11,18H,3-4,6-7,9-10,12H2,1-2H3,(H,19,23)
InChIKeyILKRQXQGTHAXER-UHFFFAOYSA-N
XLogP1.39
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120937346) is N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CCc1noc(CC)c1CNC(=O)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is ILKRQXQGTHAXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-14-13(15(4-2)24-21-14)12-19-16(23)17(6-9-18-10-7-17)22-11-5-8-20-22/h5,8,11,18H,3-4,6-7,9-10,12H2,1-2H3,(H,19,23).
What are the key properties of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120937346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).