N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

C17H26N6O2 — CID 71867907

IUPACN-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCCC(CC)c1cc(CNC(=O)N2CCC(n3cncn3)CC2)on1
InChIInChI=1S/C17H26N6O2/c1-3-13(4-2)16-9-15(25-21-16)10-19-17(24)22-7-5-14(6-8-22)23-12-18-11-20-23/h9,11-14H,3-8,10H2,1-2H3,(H,19,24)
InChIKeyBQHWNEROVLCEFG-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.72
Rot. Bonds6

About N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (PubChem CID 71867907) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
PubChem CID71867907
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCCC(CC)c1cc(CNC(=O)N2CCC(n3cncn3)CC2)on1
InChIInChI=1S/C17H26N6O2/c1-3-13(4-2)16-9-15(25-21-16)10-19-17(24)22-7-5-14(6-8-22)23-12-18-11-20-23/h9,11-14H,3-8,10H2,1-2H3,(H,19,24)
InChIKeyBQHWNEROVLCEFG-UHFFFAOYSA-N
XLogP2.72
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (CID 71867907) is N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is CCC(CC)c1cc(CNC(=O)N2CCC(n3cncn3)CC2)on1.
What is the InChIKey of N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The InChIKey is BQHWNEROVLCEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-3-13(4-2)16-9-15(25-21-16)10-19-17(24)22-7-5-14(6-8-22)23-12-18-11-20-23/h9,11-14H,3-8,10H2,1-2H3,(H,19,24).
What are the key properties of N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71867907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).