3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H21N3O3 — CID 11673880

IUPAC3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(=O)Nc1ccc(C2=NOC(C(=O)NCC(C)C)C2)cc1
InChIInChI=1S/C16H21N3O3/c1-10(2)9-17-16(21)15-8-14(19-22-15)12-4-6-13(7-5-12)18-11(3)20/h4-7,10,15H,8-9H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyCTPSSIRBTXCCIZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.91
Rot. Bonds5

About 3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 11673880) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID11673880
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(=O)Nc1ccc(C2=NOC(C(=O)NCC(C)C)C2)cc1
InChIInChI=1S/C16H21N3O3/c1-10(2)9-17-16(21)15-8-14(19-22-15)12-4-6-13(7-5-12)18-11(3)20/h4-7,10,15H,8-9H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyCTPSSIRBTXCCIZ-UHFFFAOYSA-N
XLogP1.91
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 11673880) is 3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(=O)Nc1ccc(C2=NOC(C(=O)NCC(C)C)C2)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is CTPSSIRBTXCCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10(2)9-17-16(21)15-8-14(19-22-15)12-4-6-13(7-5-12)18-11(3)20/h4-7,10,15H,8-9H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 11673880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).