N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide

C16H16N4O2 — CID 2962284

IUPACN-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H16N4O2/c21-16(18-7-4-9-20-10-8-17-12-20)14-11-15(22-19-14)13-5-2-1-3-6-13/h1-3,5-6,8,10-12H,4,7,9H2,(H,18,21)
InChIKeyFLWZIODGHJAZJD-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.36
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide

N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 2962284) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID2962284
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H16N4O2/c21-16(18-7-4-9-20-10-8-17-12-20)14-11-15(22-19-14)13-5-2-1-3-6-13/h1-3,5-6,8,10-12H,4,7,9H2,(H,18,21)
InChIKeyFLWZIODGHJAZJD-UHFFFAOYSA-N
XLogP2.36
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Canverixin
CID 139360137
N-{(2S)-1-({(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide
CID 138545235
N-[(3S,4S)-1-(cyclobutylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678076
N-[(3S,4S)-1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678177
Hdac-IN-26
CID 146317294
US12331044, Example 59
CID 155925379
N-[3-(1H-imidazol-1-yl)propyl]-5-thien-2-ylisoxazole-3-carboxamide
CID 3235911
N-[3-(1H-imidazol-1-yl)propyl]-5-(2-methoxyphenyl)isoxazole-3-carboxamide
CID 3245017
N-(3-imidazolylpropyl)[5-(3-methoxyphenyl)isoxazol-3-yl]carboxamide
CID 9550543
1-[1-[(5-Phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol
CID 135387213
N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 138545006
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

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 2962284) is N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCCCn1ccnc1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is FLWZIODGHJAZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-16(18-7-4-9-20-10-8-17-12-20)14-11-15(22-19-14)13-5-2-1-3-6-13/h1-3,5-6,8,10-12H,4,7,9H2,(H,18,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2962284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).