N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide

C23H20N2O3 — CID 110278892

IUPACN-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide
SMILESCC(NC(=O)c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2o1
InChIInChI=1S/C23H20N2O3/c1-16(23-25-20-9-5-6-10-21(20)28-23)24-22(26)18-11-13-19(14-12-18)27-15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,24,26)
InChIKeyLCMDSGBJIWDNPZ-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.90
Rot. Bonds6

About N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide

N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide (PubChem CID 110278892) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide
PubChem CID110278892
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide
SMILESCC(NC(=O)c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2o1
InChIInChI=1S/C23H20N2O3/c1-16(23-25-20-9-5-6-10-21(20)28-23)24-22(26)18-11-13-19(14-12-18)27-15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,24,26)
InChIKeyLCMDSGBJIWDNPZ-UHFFFAOYSA-N
XLogP4.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110278958
N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide
CID 9049434
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 110278694
4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831
N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 110278731
N-[1-(1,3-benzoxazol-2-yl)ethyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 110278672
4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 39952477
N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide
CID 35591328
1,3-benzoxazol-2-ylmethyl (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 55937071
N-methyl-4-phenylmethoxybenzamide
CID 2996745
N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide
CID 41380086
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-phenylmethoxybenzamide
CID 9300981

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide (CID 110278892) is N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide is CC(NC(=O)c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2o1.
What is the InChIKey of N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide?
The InChIKey is LCMDSGBJIWDNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-16(23-25-20-9-5-6-10-21(20)28-23)24-22(26)18-11-13-19(14-12-18)27-15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,24,26).
What are the key properties of N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide?
N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide has a molecular weight of 372.42 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 110278892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).