3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide

C18H24N2O2 — CID 55670941

IUPAC3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C18H24N2O2/c1-17(2,3)12-18(4,5)19-16(21)15-11-14(20-22-15)13-9-7-6-8-10-13/h6-11H,12H2,1-5H3,(H,19,21)
InChIKeyAGGGFBSSBKKYSP-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.29
Rot. Bonds4

About 3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide

3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide (PubChem CID 55670941) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide
PubChem CID55670941
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C18H24N2O2/c1-17(2,3)12-18(4,5)19-16(21)15-11-14(20-22-15)13-9-7-6-8-10-13/h6-11H,12H2,1-5H3,(H,19,21)
InChIKeyAGGGFBSSBKKYSP-UHFFFAOYSA-N
XLogP4.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide (CID 55670941) is 3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide is CC(C)(C)CC(C)(C)NC(=O)c1cc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is AGGGFBSSBKKYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-17(2,3)12-18(4,5)19-16(21)15-11-14(20-22-15)13-9-7-6-8-10-13/h6-11H,12H2,1-5H3,(H,19,21).
What are the key properties of 3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide?
3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55670941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).