4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide

C23H19N3O3 — CID 46691878

IUPAC4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C23H19N3O3/c1-15(27)24-14-16-6-8-17(9-7-16)22(28)25-19-12-10-18(11-13-19)23-26-20-4-2-3-5-21(20)29-23/h2-13H,14H2,1H3,(H,24,27)(H,25,28)
InChIKeySDDRKGMLGQTCAL-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.38
Rot. Bonds5

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

4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 46691878) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID46691878
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C23H19N3O3/c1-15(27)24-14-16-6-8-17(9-7-16)22(28)25-19-12-10-18(11-13-19)23-26-20-4-2-3-5-21(20)29-23/h2-13H,14H2,1H3,(H,24,27)(H,25,28)
InChIKeySDDRKGMLGQTCAL-UHFFFAOYSA-N
XLogP4.38
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815
4-(acetamidomethyl)-N-(4-phenylphenyl)benzamide
CID 78805930
N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide
CID 15999485
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 16580992
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 1114221
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-4-chlorobenzamide
CID 22777679
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363687
4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34304149
N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 778969
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-oxochromen-3-yl)benzamide
CID 17110634
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3995493

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide (CID 46691878) is 4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide is CC(=O)NCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is SDDRKGMLGQTCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-15(27)24-14-16-6-8-17(9-7-16)22(28)25-19-12-10-18(11-13-19)23-26-20-4-2-3-5-21(20)29-23/h2-13H,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide?
4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 385.42 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 46691878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).