N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide

C26H30FN5O4 — CID 162281322

IUPACN-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC3)NC(=O)c3cc(C)on3)[nH]2)c(F)c1
InChIInChI=1S/C26H30FN5O4/c1-15-6-7-18(19(27)10-15)22-14-28-25(29-22)16(2)11-23(33)20(13-24(34)32-8-4-5-9-32)30-26(35)21-12-17(3)36-31-21/h6-7,10,12,14,16,20H,4-5,8-9,11,13H2,1-3H3,(H,28,29)(H,30,35)/t16-,20+/m1/s1
InChIKeyYCJSOALQLCWNFO-UZLBHIALSA-N
MW495.56 g/mol
LogP3.69
Rot. Bonds9

About N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 162281322) has the molecular formula C26H30FN5O4 and a molecular weight of 495.56 g/mol. Its IUPAC name is N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID162281322
Molecular FormulaC26H30FN5O4
Molecular Weight495.56 g/mol
Exact Mass495.23
IUPAC NameN-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC3)NC(=O)c3cc(C)on3)[nH]2)c(F)c1
InChIInChI=1S/C26H30FN5O4/c1-15-6-7-18(19(27)10-15)22-14-28-25(29-22)16(2)11-23(33)20(13-24(34)32-8-4-5-9-32)30-26(35)21-12-17(3)36-31-21/h6-7,10,12,14,16,20H,4-5,8-9,11,13H2,1-3H3,(H,28,29)(H,30,35)/t16-,20+/m1/s1
InChIKeyYCJSOALQLCWNFO-UZLBHIALSA-N
XLogP3.69
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

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
Hdac-IN-26
CID 146317294
US12331044, Example 59
CID 155925379
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
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
(7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-isoxazol-3-yl-heptan-1-one
CID 146317418
N-[3-(1H-imidazol-1-yl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 2971764
N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1H-imidazol-5-yl]-7-oxononyl]-1,2-oxazole-3-carboxamide
CID 162644726

Frequently Asked Questions

What is the IUPAC name of N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 162281322) is N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC3)NC(=O)c3cc(C)on3)[nH]2)c(F)c1.
What is the InChIKey of N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is YCJSOALQLCWNFO-UZLBHIALSA-N. The full InChI is InChI=1S/C26H30FN5O4/c1-15-6-7-18(19(27)10-15)22-14-28-25(29-22)16(2)11-23(33)20(13-24(34)32-8-4-5-9-32)30-26(35)21-12-17(3)36-31-21/h6-7,10,12,14,16,20H,4-5,8-9,11,13H2,1-3H3,(H,28,29)(H,30,35)/t16-,20+/m1/s1.
What are the key properties of N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-pyrrolidin-1-ylheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162281322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).