4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide

C15H21N5O2S — CID 51084065

IUPAC4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NCc3csc(C)n3)CC2)on1
InChIInChI=1S/C15H21N5O2S/c1-11-7-14(22-18-11)9-19-3-5-20(6-4-19)15(21)16-8-13-10-23-12(2)17-13/h7,10H,3-6,8-9H2,1-2H3,(H,16,21)
InChIKeyFZIDGESPZDHKQO-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.78
Rot. Bonds4

About 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide

4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide (PubChem CID 51084065) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
PubChem CID51084065
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NCc3csc(C)n3)CC2)on1
InChIInChI=1S/C15H21N5O2S/c1-11-7-14(22-18-11)9-19-3-5-20(6-4-19)15(21)16-8-13-10-23-12(2)17-13/h7,10H,3-6,8-9H2,1-2H3,(H,16,21)
InChIKeyFZIDGESPZDHKQO-UHFFFAOYSA-N
XLogP1.78
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide (CID 51084065) is 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide is Cc1cc(CN2CCN(C(=O)NCc3csc(C)n3)CC2)on1.
What is the InChIKey of 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The InChIKey is FZIDGESPZDHKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-7-14(22-18-11)9-19-3-5-20(6-4-19)15(21)16-8-13-10-23-12(2)17-13/h7,10H,3-6,8-9H2,1-2H3,(H,16,21).
What are the key properties of 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 51084065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).