(3-methyl-1,2-oxazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C17H19N5O2S — CID 72939467

IUPAC(3-methyl-1,2-oxazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3nccn3Cc3cscn3)C2)on1
InChIInChI=1S/C17H19N5O2S/c1-12-7-15(24-20-12)17(23)22-5-2-3-13(8-22)16-18-4-6-21(16)9-14-10-25-11-19-14/h4,6-7,10-11,13H,2-3,5,8-9H2,1H3
InChIKeyQHRRCDWKPSUECB-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.70
Rot. Bonds4

About (3-methyl-1,2-oxazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(3-methyl-1,2-oxazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72939467) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72939467
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name(3-methyl-1,2-oxazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3nccn3Cc3cscn3)C2)on1
InChIInChI=1S/C17H19N5O2S/c1-12-7-15(24-20-12)17(23)22-5-2-3-13(8-22)16-18-4-6-21(16)9-14-10-25-11-19-14/h4,6-7,10-11,13H,2-3,5,8-9H2,1H3
InChIKeyQHRRCDWKPSUECB-UHFFFAOYSA-N
XLogP2.70
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72939467) is (3-methyl-1,2-oxazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC(c3nccn3Cc3cscn3)C2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is QHRRCDWKPSUECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-12-7-15(24-20-12)17(23)22-5-2-3-13(8-22)16-18-4-6-21(16)9-14-10-25-11-19-14/h4,6-7,10-11,13H,2-3,5,8-9H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(3-methyl-1,2-oxazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 357.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72939467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).