4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-thiophen-3-ylpiperazine-1-carboxamide

C15H20N4O2S — CID 75438160

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-thiophen-3-ylpiperazine-1-carboxamide
SMILESCc1nc(CN2CCN(C(=O)Nc3ccsc3)CC2)oc1C
InChIInChI=1S/C15H20N4O2S/c1-11-12(2)21-14(16-11)9-18-4-6-19(7-5-18)15(20)17-13-3-8-22-10-13/h3,8,10H,4-7,9H2,1-2H3,(H,17,20)
InChIKeyVDGAQANQLTULAF-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.70
Rot. Bonds3

About 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-thiophen-3-ylpiperazine-1-carboxamide

4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-thiophen-3-ylpiperazine-1-carboxamide (PubChem CID 75438160) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-thiophen-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-thiophen-3-ylpiperazine-1-carboxamide
PubChem CID75438160
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-thiophen-3-ylpiperazine-1-carboxamide
SMILESCc1nc(CN2CCN(C(=O)Nc3ccsc3)CC2)oc1C
InChIInChI=1S/C15H20N4O2S/c1-11-12(2)21-14(16-11)9-18-4-6-19(7-5-18)15(20)17-13-3-8-22-10-13/h3,8,10H,4-7,9H2,1-2H3,(H,17,20)
InChIKeyVDGAQANQLTULAF-UHFFFAOYSA-N
XLogP2.70
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-thiophen-3-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-thiophen-3-ylpiperazine-1-carboxamide (CID 75438160) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-thiophen-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-thiophen-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-thiophen-3-ylpiperazine-1-carboxamide is Cc1nc(CN2CCN(C(=O)Nc3ccsc3)CC2)oc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-thiophen-3-ylpiperazine-1-carboxamide?
The InChIKey is VDGAQANQLTULAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11-12(2)21-14(16-11)9-18-4-6-19(7-5-18)15(20)17-13-3-8-22-10-13/h3,8,10H,4-7,9H2,1-2H3,(H,17,20).
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-thiophen-3-ylpiperazine-1-carboxamide?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-thiophen-3-ylpiperazine-1-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-thiophen-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 75438160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).