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

C15H20N4O2S — CID 49130402

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCN(Cc3cccs3)CC2)on1
InChIInChI=1S/C15H20N4O2S/c1-12-9-13(21-17-12)10-16-15(20)19-6-4-18(5-7-19)11-14-3-2-8-22-14/h2-3,8-9H,4-7,10-11H2,1H3,(H,16,20)
InChIKeyQGHLURLLYNBFGL-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.07
Rot. Bonds4

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

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 49130402) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
PubChem CID49130402
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCN(Cc3cccs3)CC2)on1
InChIInChI=1S/C15H20N4O2S/c1-12-9-13(21-17-12)10-16-15(20)19-6-4-18(5-7-19)11-14-3-2-8-22-14/h2-3,8-9H,4-7,10-11H2,1H3,(H,16,20)
InChIKeyQGHLURLLYNBFGL-UHFFFAOYSA-N
XLogP2.07
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 51074101
2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid
CID 62309915
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 39722478
N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185587
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide
CID 119068232
N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185583
N-[(2,3-dimethoxyphenyl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 55909350
N-[1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46471453
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide
CID 3834876
N-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185585
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (CID 49130402) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is Cc1cc(CNC(=O)N2CCN(Cc3cccs3)CC2)on1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is QGHLURLLYNBFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-12-9-13(21-17-12)10-16-15(20)19-6-4-18(5-7-19)11-14-3-2-8-22-14/h2-3,8-9H,4-7,10-11H2,1H3,(H,16,20).
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 49130402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).