N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide

C23H20N2O2 — CID 54857948

IUPACN-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(Cc3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C23H20N2O2/c1-2-16-7-11-18(12-8-16)23(26)24-19-13-9-17(10-14-19)15-22-25-20-5-3-4-6-21(20)27-22/h3-14H,2,15H2,1H3,(H,24,26)
InChIKeyAJMMJMCRQMOJHS-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.23
Rot. Bonds5

About N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide

N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide (PubChem CID 54857948) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide
PubChem CID54857948
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(Cc3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C23H20N2O2/c1-2-16-7-11-18(12-8-16)23(26)24-19-13-9-17(10-14-19)15-22-25-20-5-3-4-6-21(20)27-22/h3-14H,2,15H2,1H3,(H,24,26)
InChIKeyAJMMJMCRQMOJHS-UHFFFAOYSA-N
XLogP5.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857949
4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857952
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide
CID 54858624
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]-1-benzofuran-2-carboxamide
CID 54858220
N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089405
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide
CID 17163160
3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54858294
N-(4-ethylphenyl)benzamide
CID 774063
N-[[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 54859298
2-[(4-tert-butylphenyl)methyl]-1,3-benzoxazole
CID 132966346
4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide
CID 46691878

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide (CID 54857948) is N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2ccc(Cc3nc4ccccc4o3)cc2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide?
The InChIKey is AJMMJMCRQMOJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-2-16-7-11-18(12-8-16)23(26)24-19-13-9-17(10-14-19)15-22-25-20-5-3-4-6-21(20)27-22/h3-14H,2,15H2,1H3,(H,24,26).
What are the key properties of N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide?
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide has a molecular weight of 356.43 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide is sourced from PubChem (CID 54857948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).