chloro(methoxy)methane;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide

C38H47ClN10O10S2 — CID 159012257

IUPACchloro(methoxy)methane;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(CCCNC(=O)c1cc(-c2ccccc2)on1)S(=O)(=O)c1ncc[nH]1.COCCl.COCn1ccnc1S(=O)(=O)N(C)CCCNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H23N5O5S.C17H19N5O4S.C2H5ClO/c1-23(30(26,27)19-21-10-12-24(19)14-28-2)11-6-9-20-18(25)16-13-17(29-22-16)15-7-4-3-5-8-15;1-22(27(24,25)17-19-9-10-20-17)11-5-8-18-16(23)14-12-15(26-21-14)13-6-3-2-4-7-13;1-4-2-3/h3-5,7-8,10,12-13H,6,9,11,14H2,1-2H3,(H,20,25);2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,18,23)(H,19,20);2H2,1H3
InChIKeyJSQHMNGMTMNXPT-UHFFFAOYSA-N
MW903.44 g/mol
LogP3.92
Rot. Bonds19

About chloro(methoxy)methane;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide

chloro(methoxy)methane;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 159012257) has the molecular formula C38H47ClN10O10S2 and a molecular weight of 903.44 g/mol. Its IUPAC name is chloro(methoxy)methane;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Namechloro(methoxy)methane;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID159012257
Molecular FormulaC38H47ClN10O10S2
Molecular Weight903.44 g/mol
Exact Mass902.26
IUPAC Namechloro(methoxy)methane;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(CCCNC(=O)c1cc(-c2ccccc2)on1)S(=O)(=O)c1ncc[nH]1.COCCl.COCn1ccnc1S(=O)(=O)N(C)CCCNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H23N5O5S.C17H19N5O4S.C2H5ClO/c1-23(30(26,27)19-21-10-12-24(19)14-28-2)11-6-9-20-18(25)16-13-17(29-22-16)15-7-4-3-5-8-15;1-22(27(24,25)17-19-9-10-20-17)11-5-8-18-16(23)14-12-15(26-21-14)13-6-3-2-4-7-13;1-4-2-3/h3-5,7-8,10,12-13H,6,9,11,14H2,1-2H3,(H,20,25);2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,18,23)(H,19,20);2H2,1H3
InChIKeyJSQHMNGMTMNXPT-UHFFFAOYSA-N
XLogP3.92
TPSA249.98 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.44
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze chloro(methoxy)methane;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloro(methoxy)methane;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of chloro(methoxy)methane;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 159012257) is chloro(methoxy)methane;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for chloro(methoxy)methane;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for chloro(methoxy)methane;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is CN(CCCNC(=O)c1cc(-c2ccccc2)on1)S(=O)(=O)c1ncc[nH]1.COCCl.COCn1ccnc1S(=O)(=O)N(C)CCCNC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of chloro(methoxy)methane;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is JSQHMNGMTMNXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5S.C17H19N5O4S.C2H5ClO/c1-23(30(26,27)19-21-10-12-24(19)14-28-2)11-6-9-20-18(25)16-13-17(29-22-16)15-7-4-3-5-8-15;1-22(27(24,25)17-19-9-10-20-17)11-5-8-18-16(23)14-12-15(26-21-14)13-6-3-2-4-7-13;1-4-2-3/h3-5,7-8,10,12-13H,6,9,11,14H2,1-2H3,(H,20,25);2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,18,23)(H,19,20);2H2,1H3.
What are the key properties of chloro(methoxy)methane;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
chloro(methoxy)methane;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 903.44 g/mol, XLogP of 3.92, 19 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(methoxy)methane;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 159012257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).