[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

C18H19N5O2 — CID 110267912

IUPAC[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCC(c3cccc(-n4ccnc4)n3)C2)co1
InChIInChI=1S/C18H19N5O2/c1-13-20-16(11-25-13)18(24)22-8-3-4-14(10-22)15-5-2-6-17(21-15)23-9-7-19-12-23/h2,5-7,9,11-12,14H,3-4,8,10H2,1H3
InChIKeySJKOXHTYVOYTSH-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.58
Rot. Bonds3

About [3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 110267912) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is [3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
PubChem CID110267912
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCC(c3cccc(-n4ccnc4)n3)C2)co1
InChIInChI=1S/C18H19N5O2/c1-13-20-16(11-25-13)18(24)22-8-3-4-14(10-22)15-5-2-6-17(21-15)23-9-7-19-12-23/h2,5-7,9,11-12,14H,3-4,8,10H2,1H3
InChIKeySJKOXHTYVOYTSH-UHFFFAOYSA-N
XLogP2.58
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (CID 110267912) is [3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is Cc1nc(C(=O)N2CCCC(c3cccc(-n4ccnc4)n3)C2)co1.
What is the InChIKey of [3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is SJKOXHTYVOYTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-20-16(11-25-13)18(24)22-8-3-4-14(10-22)15-5-2-6-17(21-15)23-9-7-19-12-23/h2,5-7,9,11-12,14H,3-4,8,10H2,1H3.
What are the key properties of [3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 337.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 110267912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).