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

C18H21N5O2S — CID 72886855

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCC(c2nccn2Cc2cscn2)C1
InChIInChI=1S/C18H21N5O2S/c1-12-16(13(2)25-21-12)18(24)23-6-3-4-14(8-23)17-19-5-7-22(17)9-15-10-26-11-20-15/h5,7,10-11,14H,3-4,6,8-9H2,1-2H3
InChIKeyOLNDJHKTELGRJH-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.01
Rot. Bonds4

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

(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72886855) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72886855
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCC(c2nccn2Cc2cscn2)C1
InChIInChI=1S/C18H21N5O2S/c1-12-16(13(2)25-21-12)18(24)23-6-3-4-14(8-23)17-19-5-7-22(17)9-15-10-26-11-20-15/h5,7,10-11,14H,3-4,6,8-9H2,1-2H3
InChIKeyOLNDJHKTELGRJH-UHFFFAOYSA-N
XLogP3.01
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72886855) is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCCC(c2nccn2Cc2cscn2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is OLNDJHKTELGRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-12-16(13(2)25-21-12)18(24)23-6-3-4-14(8-23)17-19-5-7-22(17)9-15-10-26-11-20-15/h5,7,10-11,14H,3-4,6,8-9H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 371.47 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72886855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).