N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide

C19H23N5O5S — CID 118370650

IUPACN-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOCn1ccnc1S(=O)(=O)N(C)CCCNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H23N5O5S/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/h3-5,7-8,10,12-13H,6,9,11,14H2,1-2H3,(H,20,25)
InChIKeyHKBQEEXLPWALBB-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.58
Rot. Bonds10

About N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]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 118370650) has the molecular formula C19H23N5O5S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID118370650
Molecular FormulaC19H23N5O5S
Molecular Weight433.49 g/mol
Exact Mass433.14
IUPAC NameN-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOCn1ccnc1S(=O)(=O)N(C)CCCNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H23N5O5S/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/h3-5,7-8,10,12-13H,6,9,11,14H2,1-2H3,(H,20,25)
InChIKeyHKBQEEXLPWALBB-UHFFFAOYSA-N
XLogP1.58
TPSA119.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 118370650) is N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is COCn1ccnc1S(=O)(=O)N(C)CCCNC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is HKBQEEXLPWALBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5S/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/h3-5,7-8,10,12-13H,6,9,11,14H2,1-2H3,(H,20,25).
What are the key properties of N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]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 433.49 g/mol, XLogP of 1.58, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(methoxymethyl)imidazol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118370650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).