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

C15H21N5O2S — CID 53499132

IUPAC4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1csc(CNC(=O)N2CCN(Cc3cc(C)on3)CC2)n1
InChIInChI=1S/C15H21N5O2S/c1-11-10-23-14(17-11)8-16-15(21)20-5-3-19(4-6-20)9-13-7-12(2)22-18-13/h7,10H,3-6,8-9H2,1-2H3,(H,16,21)
InChIKeyFCPHQUHDSVPKCZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.78
Rot. Bonds4

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

4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 53499132) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
PubChem CID53499132
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1csc(CNC(=O)N2CCN(Cc3cc(C)on3)CC2)n1
InChIInChI=1S/C15H21N5O2S/c1-11-10-23-14(17-11)8-16-15(21)20-5-3-19(4-6-20)9-13-7-12(2)22-18-13/h7,10H,3-6,8-9H2,1-2H3,(H,16,21)
InChIKeyFCPHQUHDSVPKCZ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide (CID 53499132) is 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide is Cc1csc(CNC(=O)N2CCN(Cc3cc(C)on3)CC2)n1.
What is the InChIKey of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is FCPHQUHDSVPKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-10-23-14(17-11)8-16-15(21)20-5-3-19(4-6-20)9-13-7-12(2)22-18-13/h7,10H,3-6,8-9H2,1-2H3,(H,16,21).
What are the key properties of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-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-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 53499132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).