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

C15H24N4O2S — CID 119068232

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCN(C3CCSCC3)CC2)on1
InChIInChI=1S/C15H24N4O2S/c1-12-10-14(21-17-12)11-16-15(20)19-6-4-18(5-7-19)13-2-8-22-9-3-13/h10,13H,2-9,11H2,1H3,(H,16,20)
InChIKeyGTVZYCDFJZLJND-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.71
Rot. Bonds3

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

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide (PubChem CID 119068232) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide
PubChem CID119068232
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCN(C3CCSCC3)CC2)on1
InChIInChI=1S/C15H24N4O2S/c1-12-10-14(21-17-12)11-16-15(20)19-6-4-18(5-7-19)13-2-8-22-9-3-13/h10,13H,2-9,11H2,1H3,(H,16,20)
InChIKeyGTVZYCDFJZLJND-UHFFFAOYSA-N
XLogP1.71
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide (CID 119068232) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide is Cc1cc(CNC(=O)N2CCN(C3CCSCC3)CC2)on1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide?
The InChIKey is GTVZYCDFJZLJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-12-10-14(21-17-12)11-16-15(20)19-6-4-18(5-7-19)13-2-8-22-9-3-13/h10,13H,2-9,11H2,1H3,(H,16,20).
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.71, 3 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-(thian-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 119068232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).