N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide

C16H14N4O5S — CID 56702227

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide
SMILESNc1nc(CNC(=O)c2coc(COc3ccc4c(c3)OCO4)n2)cs1
InChIInChI=1S/C16H14N4O5S/c17-16-19-9(7-26-16)4-18-15(21)11-5-23-14(20-11)6-22-10-1-2-12-13(3-10)25-8-24-12/h1-3,5,7H,4,6,8H2,(H2,17,19)(H,18,21)
InChIKeyDXCUSXKQVCVSCB-UHFFFAOYSA-N
MW374.38 g/mol
LogP1.95
Rot. Bonds6

About N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide

N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide (PubChem CID 56702227) has the molecular formula C16H14N4O5S and a molecular weight of 374.38 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide
PubChem CID56702227
Molecular FormulaC16H14N4O5S
Molecular Weight374.38 g/mol
Exact Mass374.07
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide
SMILESNc1nc(CNC(=O)c2coc(COc3ccc4c(c3)OCO4)n2)cs1
InChIInChI=1S/C16H14N4O5S/c17-16-19-9(7-26-16)4-18-15(21)11-5-23-14(20-11)6-22-10-1-2-12-13(3-10)25-8-24-12/h1-3,5,7H,4,6,8H2,(H2,17,19)(H,18,21)
InChIKeyDXCUSXKQVCVSCB-UHFFFAOYSA-N
XLogP1.95
TPSA121.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide 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-yloxymethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 25377105
2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 25395754
2-(1,3-benzodioxol-5-yloxymethyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide
CID 42460835
2-(1,3-benzodioxol-5-yloxymethyl)-N,N-dipropyl-1,3-oxazole-4-carboxamide
CID 72923758
2-(1,3-benzodioxol-5-yloxymethyl)-N-(1-phenylcyclopropyl)-1,3-oxazole-4-carboxamide
CID 25372022
2-(1,3-benzodioxol-5-yloxymethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 176989335
2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42835481
2-(1,3-benzodioxol-5-yloxymethyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 97120399
[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 56713168
2-(1,3-benzodioxol-5-yloxymethyl)-N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 97154085
2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 72858622
(2S)-1-[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonyl]-N-ethylpyrrolidine-2-carboxamide
CID 72863659

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide (CID 56702227) is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide is Nc1nc(CNC(=O)c2coc(COc3ccc4c(c3)OCO4)n2)cs1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is DXCUSXKQVCVSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5S/c17-16-19-9(7-26-16)4-18-15(21)11-5-23-14(20-11)6-22-10-1-2-12-13(3-10)25-8-24-12/h1-3,5,7H,4,6,8H2,(H2,17,19)(H,18,21).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide?
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 374.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56702227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).