7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one

C17H20N4O2S — CID 138022569

IUPAC7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one
SMILESCCc1cnc(N2CCN(Cc3cccc4[nH]c(=O)oc34)CC2)s1
InChIInChI=1S/C17H20N4O2S/c1-2-13-10-18-16(24-13)21-8-6-20(7-9-21)11-12-4-3-5-14-15(12)23-17(22)19-14/h3-5,10H,2,6-9,11H2,1H3,(H,19,22)
InChIKeyRONBOQKNZQIXGJ-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.46
Rot. Bonds4

About 7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one

7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 138022569) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one
PubChem CID138022569
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one
SMILESCCc1cnc(N2CCN(Cc3cccc4[nH]c(=O)oc34)CC2)s1
InChIInChI=1S/C17H20N4O2S/c1-2-13-10-18-16(24-13)21-8-6-20(7-9-21)11-12-4-3-5-14-15(12)23-17(22)19-14/h3-5,10H,2,6-9,11H2,1H3,(H,19,22)
InChIKeyRONBOQKNZQIXGJ-UHFFFAOYSA-N
XLogP2.46
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one with MolForge

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Related Compounds

1-(5-ethyl-1,3-thiazol-2-yl)-1,4-diazepan-5-one
CID 157138436
2-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-propylacetamide
CID 71988871
7-piperazin-1-yl-3H-1,3-benzoxazol-2-one
CID 20644640
2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 166021942
7-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358109
N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide
CID 110358081
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 136528222
7-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358105
3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one
CID 166457847
2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 119886766
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62752073
5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole
CID 118472763

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one (CID 138022569) is 7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one is CCc1cnc(N2CCN(Cc3cccc4[nH]c(=O)oc34)CC2)s1.
What is the InChIKey of 7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is RONBOQKNZQIXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-2-13-10-18-16(24-13)21-8-6-20(7-9-21)11-12-4-3-5-14-15(12)23-17(22)19-14/h3-5,10H,2,6-9,11H2,1H3,(H,19,22).
What are the key properties of 7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one?
7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 344.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 138022569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).