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

C24H22N2O2 — CID 54857949

IUPAC4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(Cc3nc4cc(C)ccc4o3)cc2)cc1
InChIInChI=1S/C24H22N2O2/c1-3-17-5-9-19(10-6-17)24(27)25-20-11-7-18(8-12-20)15-23-26-21-14-16(2)4-13-22(21)28-23/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyQFSGWMVTVAIRRG-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.54
Rot. Bonds5

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

4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide (PubChem CID 54857949) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
PubChem CID54857949
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(Cc3nc4cc(C)ccc4o3)cc2)cc1
InChIInChI=1S/C24H22N2O2/c1-3-17-5-9-19(10-6-17)24(27)25-20-11-7-18(8-12-20)15-23-26-21-14-16(2)4-13-22(21)28-23/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyQFSGWMVTVAIRRG-UHFFFAOYSA-N
XLogP5.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857952
4-tert-butyl-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857974
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide
CID 54857948
2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858538
3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54858294
N-[[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 54859298
N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide
CID 54858611
2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858831
N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 54858269
N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-4-propan-2-yloxybenzamide
CID 54858364
2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858705
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide (CID 54857949) is 4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide is CCc1ccc(C(=O)Nc2ccc(Cc3nc4cc(C)ccc4o3)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide?
The InChIKey is QFSGWMVTVAIRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-3-17-5-9-19(10-6-17)24(27)25-20-11-7-18(8-12-20)15-23-26-21-14-16(2)4-13-22(21)28-23/h4-14H,3,15H2,1-2H3,(H,25,27).
What are the key properties of 4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide?
4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 54857949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).