N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide

C23H20N2O2 — CID 1365709

IUPACN-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide
SMILESCCc1ccc2oc(-c3ccc(NC(=O)c4cccc(C)c4)cc3)nc2c1
InChIInChI=1S/C23H20N2O2/c1-3-16-7-12-21-20(14-16)25-23(27-21)17-8-10-19(11-9-17)24-22(26)18-6-4-5-15(2)13-18/h4-14H,3H2,1-2H3,(H,24,26)
InChIKeyFJELOAABZXNALE-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.62
Rot. Bonds4

About N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide

N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide (PubChem CID 1365709) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide
PubChem CID1365709
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide
SMILESCCc1ccc2oc(-c3ccc(NC(=O)c4cccc(C)c4)cc3)nc2c1
InChIInChI=1S/C23H20N2O2/c1-3-16-7-12-21-20(14-16)25-23(27-21)17-8-10-19(11-9-17)24-22(26)18-6-4-5-15(2)13-18/h4-14H,3H2,1-2H3,(H,24,26)
InChIKeyFJELOAABZXNALE-UHFFFAOYSA-N
XLogP5.62
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-iodobenzamide
CID 23989178
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240
3-methyl-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127491
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzamide
CID 1363898
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxybenzamide
CID 1364095
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]pyridine-4-carboxamide
CID 777133
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide
CID 3095595
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334885
N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 645017
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methylbenzamide
CID 1048278

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide (CID 1365709) is N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide is CCc1ccc2oc(-c3ccc(NC(=O)c4cccc(C)c4)cc3)nc2c1.
What is the InChIKey of N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide?
The InChIKey is FJELOAABZXNALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-3-16-7-12-21-20(14-16)25-23(27-21)17-8-10-19(11-9-17)24-22(26)18-6-4-5-15(2)13-18/h4-14H,3H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide?
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide has a molecular weight of 356.43 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 1365709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).