5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide

C25H23N5O3 — CID 134278412

IUPAC5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@@H]1CCN(C(=O)c2ccc3nccnc3c2)C[C@@H]1c1ccccc1
InChIInChI=1S/C25H23N5O3/c1-16-23(28-15-33-16)24(31)29-20-9-12-30(14-19(20)17-5-3-2-4-6-17)25(32)18-7-8-21-22(13-18)27-11-10-26-21/h2-8,10-11,13,15,19-20H,9,12,14H2,1H3,(H,29,31)/t19-,20-/m1/s1
InChIKeyZGYRTMWSQZLGFA-WOJBJXKFSA-N
MW441.49 g/mol
LogP3.35
Rot. Bonds4

About 5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide

5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 134278412) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID134278412
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@@H]1CCN(C(=O)c2ccc3nccnc3c2)C[C@@H]1c1ccccc1
InChIInChI=1S/C25H23N5O3/c1-16-23(28-15-33-16)24(31)29-20-9-12-30(14-19(20)17-5-3-2-4-6-17)25(32)18-7-8-21-22(13-18)27-11-10-26-21/h2-8,10-11,13,15,19-20H,9,12,14H2,1H3,(H,29,31)/t19-,20-/m1/s1
InChIKeyZGYRTMWSQZLGFA-WOJBJXKFSA-N
XLogP3.35
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide
CID 134278239
N-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide
CID 135094429
6-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]pyridine-3-carboxamide
CID 134278521
N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methyl-2-oxo-3H-1,3-oxazole-4-carboxamide
CID 134278855
N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methyl-2-propan-2-ylpyrazole-3-carboxamide
CID 134607378
N-[(3S,4R)-1-(8-methoxyquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134278487
2-chloro-N-[(3S,4R)-1-(5-chloro-6-methoxypyridine-3-carbonyl)-3-phenylpiperidin-4-yl]benzamide
CID 134279035
2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxyquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide
CID 134278367
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717
3-[(3S)-1-(quinoxaline-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97209819
(3S,4R)-3-phenyl-4-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylic acid
CID 134278304
[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 163348189

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide (CID 134278412) is 5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)N[C@@H]1CCN(C(=O)c2ccc3nccnc3c2)C[C@@H]1c1ccccc1.
What is the InChIKey of 5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is ZGYRTMWSQZLGFA-WOJBJXKFSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-16-23(28-15-33-16)24(31)29-20-9-12-30(14-19(20)17-5-3-2-4-6-17)25(32)18-7-8-21-22(13-18)27-11-10-26-21/h2-8,10-11,13,15,19-20H,9,12,14H2,1H3,(H,29,31)/t19-,20-/m1/s1.
What are the key properties of 5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 134278412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).