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

C17H19N5O4S — CID 91885618

IUPACN-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(CCCNC(=O)c1cc(-c2ccccc2)on1)S(=O)(=O)c1ncc[nH]1
InChIInChI=1S/C17H19N5O4S/c1-22(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/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,18,23)(H,19,20)
InChIKeyGJCUJIBZZLGLMA-UHFFFAOYSA-N
MW389.44 g/mol
LogP1.51
Rot. Bonds8

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

N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 91885618) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID91885618
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC NameN-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(CCCNC(=O)c1cc(-c2ccccc2)on1)S(=O)(=O)c1ncc[nH]1
InChIInChI=1S/C17H19N5O4S/c1-22(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/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,18,23)(H,19,20)
InChIKeyGJCUJIBZZLGLMA-UHFFFAOYSA-N
XLogP1.51
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

US12331044, Example 59
CID 155925379
N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962284
N-(3-imidazolylpropyl)[5-(3-methoxyphenyl)isoxazol-3-yl]carboxamide
CID 9550543
N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 138545112
5-methyl-N-[(2S)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide
CID 138545265
5-(3-Hydroxyphenyl)-N-(3-(1H-imidazol-1-yl)propyl)-3-isoxazolecarboxamide
CID 16195528
N-[3-(1H-imidazol-1-yl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 2971764
5-(4-bromophenyl)-N-[3-(1H-imidazol-1-yl)propyl]isoxazole-3-carboxamide
CID 16002457
N-(3-(1H-Imidazol-1-yl)propyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 6619146
US11306078, Example 1.043
CID 141749044
2-methylpropyl (2S)-2-[[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-imidazol-1-ylpropanoate
CID 145960389
propan-2-yl (2S)-2-[[5-(2-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-imidazol-1-ylpropanoate
CID 145962388

Frequently Asked Questions

What is the IUPAC name of N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 91885618) is N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is CN(CCCNC(=O)c1cc(-c2ccccc2)on1)S(=O)(=O)c1ncc[nH]1.
What is the InChIKey of N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is GJCUJIBZZLGLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-22(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/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,18,23)(H,19,20).
What are the key properties of N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91885618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).