4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide

C25H24N2O2 — CID 16867364

IUPAC4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2cc(-c3ccc4ccccc4c3)on2)cc1
InChIInChI=1S/C25H24N2O2/c1-25(2,3)21-12-10-18(11-13-21)24(28)26-16-22-15-23(29-27-22)20-9-8-17-6-4-5-7-19(17)14-20/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyHACZPXKTIKTJQM-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.72
Rot. Bonds4

About 4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide

4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 16867364) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID16867364
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2cc(-c3ccc4ccccc4c3)on2)cc1
InChIInChI=1S/C25H24N2O2/c1-25(2,3)21-12-10-18(11-13-21)24(28)26-16-22-15-23(29-27-22)20-9-8-17-6-4-5-7-19(17)14-20/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyHACZPXKTIKTJQM-UHFFFAOYSA-N
XLogP5.72
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]naphthalene-2-carboxamide
CID 16867283
4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867237
3,4,5-trimethoxy-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867378
N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 16867447
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496
N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-2-phenoxypropanamide
CID 16867418
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
CID 16866853
4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 16867353
3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866600

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide (CID 16867364) is 4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCc2cc(-c3ccc4ccccc4c3)on2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is HACZPXKTIKTJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-25(2,3)21-12-10-18(11-13-21)24(28)26-16-22-15-23(29-27-22)20-9-8-17-6-4-5-7-19(17)14-20/h4-15H,16H2,1-3H3,(H,26,28).
What are the key properties of 4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide?
4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 16867364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).