N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide

C20H24N4O7 — CID 166004929

IUPACN-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide
SMILESCOCc1nc(C(=O)N2CCN(CC(=O)Nc3cc4c(cc3OC)OCO4)CC2)co1
InChIInChI=1S/C20H24N4O7/c1-27-11-19-22-14(10-29-19)20(26)24-5-3-23(4-6-24)9-18(25)21-13-7-16-17(31-12-30-16)8-15(13)28-2/h7-8,10H,3-6,9,11-12H2,1-2H3,(H,21,25)
InChIKeyNSYQITNPMRJFFH-UHFFFAOYSA-N
MW432.43 g/mol
LogP0.95
Rot. Bonds7

About N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide

N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide (PubChem CID 166004929) has the molecular formula C20H24N4O7 and a molecular weight of 432.43 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide
PubChem CID166004929
Molecular FormulaC20H24N4O7
Molecular Weight432.43 g/mol
Exact Mass432.16
IUPAC NameN-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide
SMILESCOCc1nc(C(=O)N2CCN(CC(=O)Nc3cc4c(cc3OC)OCO4)CC2)co1
InChIInChI=1S/C20H24N4O7/c1-27-11-19-22-14(10-29-19)20(26)24-5-3-23(4-6-24)9-18(25)21-13-7-16-17(31-12-30-16)8-15(13)28-2/h7-8,10H,3-6,9,11-12H2,1-2H3,(H,21,25)
InChIKeyNSYQITNPMRJFFH-UHFFFAOYSA-N
XLogP0.95
TPSA115.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(1,3-benzodioxol-5-yloxy)methyl]-N-[1-methyl-2-(6-methyl-2-pyridinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 45220622
2-[(1,3-benzodioxol-5-yloxy)methyl]-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 56703364
4-({2-[(1,3-Benzodioxol-5-yloxy)methyl]-1,3-oxazol-4-yl}carbonyl)-3-ethylmorpholine
CID 56703844
2-[(1,3-benzodioxol-5-yloxy)methyl]-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 56707690
4-({2-[(1,3-Benzodioxol-5-yloxy)methyl]-1,3-oxazol-4-yl}carbonyl)-3-ethyl-1-methylpiperazin-2-one
CID 56710905
4-({2-[(1,3-Benzodioxol-5-yloxy)methyl]-1,3-oxazol-4-yl}carbonyl)-2,2-dimethylmorpholine
CID 56714695
2-[(1,3-benzodioxol-5-yloxy)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 72843100
4-({2-[(1,3-Benzodioxol-5-yloxy)methyl]-1,3-oxazol-4-yl}carbonyl)-1-ethyl-2,2-dimethylpiperazine
CID 72902027
N-[1-({2-[(1,3-benzodioxol-5-yloxy)methyl]-1,3-oxazol-4-yl}carbonyl)pyrrolidin-3-yl]acetamide
CID 72908842
4-({2-[(1,3-Benzodioxol-5-yloxy)methyl]-1,3-oxazol-4-yl}carbonyl)-3-isopropylpiperazin-2-one
CID 72921545
2-[(1,3-benzodioxol-5-yloxy)methyl]-N-(2-methyl-2-propen-1-yl)-1,3-oxazole-4-carboxamide
CID 26315933
2-[(1,3-benzodioxol-5-yloxy)methyl]-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide
CID 72919152

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide (CID 166004929) is N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide is COCc1nc(C(=O)N2CCN(CC(=O)Nc3cc4c(cc3OC)OCO4)CC2)co1.
What is the InChIKey of N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is NSYQITNPMRJFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O7/c1-27-11-19-22-14(10-29-19)20(26)24-5-3-23(4-6-24)9-18(25)21-13-7-16-17(31-12-30-16)8-15(13)28-2/h7-8,10H,3-6,9,11-12H2,1-2H3,(H,21,25).
What are the key properties of N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide?
N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 432.43 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(methoxymethyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 166004929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).