1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide

C22H27N5O2 — CID 72891129

IUPAC1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESCCc1cc(CN2CCCC(C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)on1
InChIInChI=1S/C22H27N5O2/c1-3-18-13-21(29-25-18)15-26-11-4-5-17(14-26)22(28)24-19-6-8-20(9-7-19)27-12-10-23-16(27)2/h6-10,12-13,17H,3-5,11,14-15H2,1-2H3,(H,24,28)
InChIKeyUFYQRJHRRZNJDG-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.58
Rot. Bonds6

About 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide

1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 72891129) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID72891129
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESCCc1cc(CN2CCCC(C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)on1
InChIInChI=1S/C22H27N5O2/c1-3-18-13-21(29-25-18)15-26-11-4-5-17(14-26)22(28)24-19-6-8-20(9-7-19)27-12-10-23-16(27)2/h6-10,12-13,17H,3-5,11,14-15H2,1-2H3,(H,24,28)
InChIKeyUFYQRJHRRZNJDG-UHFFFAOYSA-N
XLogP3.58
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide (CID 72891129) is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide is CCc1cc(CN2CCCC(C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)on1.
What is the InChIKey of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is UFYQRJHRRZNJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-3-18-13-21(29-25-18)15-26-11-4-5-17(14-26)22(28)24-19-6-8-20(9-7-19)27-12-10-23-16(27)2/h6-10,12-13,17H,3-5,11,14-15H2,1-2H3,(H,24,28).
What are the key properties of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide?
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 72891129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).