2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide

C24H24N4O3 — CID 3788448

IUPAC2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)Nc1cnn(CCOCc2ccccc2)c1
InChIInChI=1S/C24H24N4O3/c1-18-22(27-24(31-18)20-10-6-3-7-11-20)14-23(29)26-21-15-25-28(16-21)12-13-30-17-19-8-4-2-5-9-19/h2-11,15-16H,12-14,17H2,1H3,(H,26,29)
InChIKeyDYSDLUXDLVXAPQ-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.24
Rot. Bonds9

About 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide (PubChem CID 3788448) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide
PubChem CID3788448
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)Nc1cnn(CCOCc2ccccc2)c1
InChIInChI=1S/C24H24N4O3/c1-18-22(27-24(31-18)20-10-6-3-7-11-20)14-23(29)26-21-15-25-28(16-21)12-13-30-17-19-8-4-2-5-9-19/h2-11,15-16H,12-14,17H2,1H3,(H,26,29)
InChIKeyDYSDLUXDLVXAPQ-UHFFFAOYSA-N
XLogP4.24
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 33283682
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 46563552
methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate
CID 46552527
2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 22087427
N-ethyl-2-[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]-N-phenylacetamide
CID 52663048
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-naphthalen-1-ylacetamide
CID 16614398
N-ethyl-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 46514633
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32562086
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16620648

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide (CID 3788448) is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide is Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cnn(CCOCc2ccccc2)c1.
What is the InChIKey of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide?
The InChIKey is DYSDLUXDLVXAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-18-22(27-24(31-18)20-10-6-3-7-11-20)14-23(29)26-21-15-25-28(16-21)12-13-30-17-19-8-4-2-5-9-19/h2-11,15-16H,12-14,17H2,1H3,(H,26,29).
What are the key properties of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide?
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide has a molecular weight of 416.48 g/mol, XLogP of 4.24, 9 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-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 3788448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).