2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide

C24H23N5O2 — CID 24620840

IUPAC2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C24H23N5O2/c1-16-20(27-24(31-16)17-9-3-2-4-10-17)15-21(30)28-22-23(29-13-7-8-14-29)26-19-12-6-5-11-18(19)25-22/h2-6,9-12H,7-8,13-15H2,1H3,(H,25,28,30)
InChIKeyJTTWXYMZCCUXQH-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.37
Rot. Bonds5

About 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide (PubChem CID 24620840) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
PubChem CID24620840
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C24H23N5O2/c1-16-20(27-24(31-16)17-9-3-2-4-10-17)15-21(30)28-22-23(29-13-7-8-14-29)26-19-12-6-5-11-18(19)25-22/h2-6,9-12H,7-8,13-15H2,1H3,(H,25,28,30)
InChIKeyJTTWXYMZCCUXQH-UHFFFAOYSA-N
XLogP4.37
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-piperidin-1-ylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614527
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 24599946
2-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 51076151
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-([1,2]oxazolo[5,4-b]pyridin-3-yl)acetamide
CID 157013228
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229706
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16622271
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-naphthalen-1-ylacetamide
CID 16614398
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
CID 18227851
N-(2-cyclopentylpyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55513122
N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 112808713
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55952063
2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 22087427

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
The IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide (CID 24620840) is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
The canonical SMILES for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide is Cc1oc(-c2ccccc2)nc1CC(=O)Nc1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
The InChIKey is JTTWXYMZCCUXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-20(27-24(31-16)17-9-3-2-4-10-17)15-21(30)28-22-23(29-13-7-8-14-29)26-19-12-6-5-11-18(19)25-22/h2-6,9-12H,7-8,13-15H2,1H3,(H,25,28,30).
What are the key properties of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide has a molecular weight of 413.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide is sourced from PubChem (CID 24620840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).