N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide

C25H30FN5O3 — CID 155925379

IUPACN-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide
SMILESCc1cc(C(=O)CCCCC[C@H](NC(=O)C2CN(C)C2)c2ncc(-c3ccccc3F)[nH]2)no1
InChIInChI=1S/C25H30FN5O3/c1-16-12-21(30-34-16)23(32)11-5-3-4-10-20(29-25(33)17-14-31(2)15-17)24-27-13-22(28-24)18-8-6-7-9-19(18)26/h6-9,12-13,17,20H,3-5,10-11,14-15H2,1-2H3,(H,27,28)(H,29,33)/t20-/m0/s1
InChIKeyNWSMVLJLEXXRHR-FQEVSTJZSA-N
MW467.55 g/mol
LogP4.06
Rot. Bonds11

About N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide

N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide (PubChem CID 155925379) has the molecular formula C25H30FN5O3 and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide
PubChem CID155925379
Molecular FormulaC25H30FN5O3
Molecular Weight467.55 g/mol
Exact Mass467.23
IUPAC NameN-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide
SMILESCc1cc(C(=O)CCCCC[C@H](NC(=O)C2CN(C)C2)c2ncc(-c3ccccc3F)[nH]2)no1
InChIInChI=1S/C25H30FN5O3/c1-16-12-21(30-34-16)23(32)11-5-3-4-10-20(29-25(33)17-14-31(2)15-17)24-27-13-22(28-24)18-8-6-7-9-19(18)26/h6-9,12-13,17,20H,3-5,10-11,14-15H2,1-2H3,(H,27,28)(H,29,33)/t20-/m0/s1
InChIKeyNWSMVLJLEXXRHR-FQEVSTJZSA-N
XLogP4.06
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide with MolForge

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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
3-({1-[2-acetamido-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl}(hydroxy)phosphoryl)-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoic acid
CID 91895994
2-[[[(2S)-1-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]-hydroxyphosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid
CID 44450311
N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962284
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(1H-pyrrol-2-yl)piperazin-2-one
CID 68158217
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
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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide (CID 155925379) is N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide is Cc1cc(C(=O)CCCCC[C@H](NC(=O)C2CN(C)C2)c2ncc(-c3ccccc3F)[nH]2)no1.
What is the InChIKey of N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide?
The InChIKey is NWSMVLJLEXXRHR-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H30FN5O3/c1-16-12-21(30-34-16)23(32)11-5-3-4-10-20(29-25(33)17-14-31(2)15-17)24-27-13-22(28-24)18-8-6-7-9-19(18)26/h6-9,12-13,17,20H,3-5,10-11,14-15H2,1-2H3,(H,27,28)(H,29,33)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide?
N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 4.06, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(5-methyl-1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide is sourced from PubChem (CID 155925379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).