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

C21H21ClN2O2 — CID 16866729

IUPAC4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cc1
InChIInChI=1S/C21H21ClN2O2/c1-21(2,3)16-8-4-15(5-9-16)20(25)23-13-18-12-19(26-24-18)14-6-10-17(22)11-7-14/h4-12H,13H2,1-3H3,(H,23,25)
InChIKeyOCPKOHCLKIFHAY-UHFFFAOYSA-N
MW368.86 g/mol
LogP5.22
Rot. Bonds4

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

4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide (PubChem CID 16866729) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
PubChem CID16866729
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cc1
InChIInChI=1S/C21H21ClN2O2/c1-21(2,3)16-8-4-15(5-9-16)20(25)23-13-18-12-19(26-24-18)14-6-10-17(22)11-7-14/h4-12H,13H2,1-3H3,(H,23,25)
InChIKeyOCPKOHCLKIFHAY-UHFFFAOYSA-N
XLogP5.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866753
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide
CID 16866727
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-nitrobenzamide
CID 16866764
4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867364
4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867237
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 16866743
2-(4-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866804
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
CID 16866853
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]-4-methoxybenzamide
CID 110314743
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
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-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide (CID 16866729) is 4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cc1.
What is the InChIKey of 4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The InChIKey is OCPKOHCLKIFHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-21(2,3)16-8-4-15(5-9-16)20(25)23-13-18-12-19(26-24-18)14-6-10-17(22)11-7-14/h4-12H,13H2,1-3H3,(H,23,25).
What are the key properties of 4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide?
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide has a molecular weight of 368.86 g/mol, XLogP of 5.22, 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-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide is sourced from PubChem (CID 16866729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).