[2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone

C15H20N4O3S — CID 48573609

IUPAC[2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCOCc1nc(C(=O)N2CCN(Cc3cc(C)on3)CC2)cs1
InChIInChI=1S/C15H20N4O3S/c1-11-7-12(17-22-11)8-18-3-5-19(6-4-18)15(20)13-10-23-14(16-13)9-21-2/h7,10H,3-6,8-9H2,1-2H3
InChIKeyKGPWTBJKYPCLJQ-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.54
Rot. Bonds5

About [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone

[2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 48573609) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
PubChem CID48573609
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name[2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCOCc1nc(C(=O)N2CCN(Cc3cc(C)on3)CC2)cs1
InChIInChI=1S/C15H20N4O3S/c1-11-7-12(17-22-11)8-18-3-5-19(6-4-18)15(20)13-10-23-14(16-13)9-21-2/h7,10H,3-6,8-9H2,1-2H3
InChIKeyKGPWTBJKYPCLJQ-UHFFFAOYSA-N
XLogP1.54
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone (CID 48573609) is [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone is COCc1nc(C(=O)N2CCN(Cc3cc(C)on3)CC2)cs1.
What is the InChIKey of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is KGPWTBJKYPCLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-11-7-12(17-22-11)8-18-3-5-19(6-4-18)15(20)13-10-23-14(16-13)9-21-2/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone?
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 336.42 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-1,3-thiazol-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 48573609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).