N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide

C16H17N5O4S — CID 118370649

IUPACN-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCNS(=O)(=O)c1ncc[nH]1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H17N5O4S/c22-15(13-11-14(25-21-13)12-5-2-1-3-6-12)17-7-4-8-20-26(23,24)16-18-9-10-19-16/h1-3,5-6,9-11,20H,4,7-8H2,(H,17,22)(H,18,19)
InChIKeyDWDHAKAKSAYWFW-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.16
Rot. Bonds8

About N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 118370649) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID118370649
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC NameN-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCNS(=O)(=O)c1ncc[nH]1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H17N5O4S/c22-15(13-11-14(25-21-13)12-5-2-1-3-6-12)17-7-4-8-20-26(23,24)16-18-9-10-19-16/h1-3,5-6,9-11,20H,4,7-8H2,(H,17,22)(H,18,19)
InChIKeyDWDHAKAKSAYWFW-UHFFFAOYSA-N
XLogP1.16
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 118370649) is N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCCCNS(=O)(=O)c1ncc[nH]1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is DWDHAKAKSAYWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c22-15(13-11-14(25-21-13)12-5-2-1-3-6-12)17-7-4-8-20-26(23,24)16-18-9-10-19-16/h1-3,5-6,9-11,20H,4,7-8H2,(H,17,22)(H,18,19).
What are the key properties of N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118370649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).