N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide

C23H20N2O3 — CID 15997458

IUPACN-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1
InChIInChI=1S/C23H20N2O3/c1-15(2)27-19-10-6-9-17(13-19)22(26)24-18-11-12-21-20(14-18)25-23(28-21)16-7-4-3-5-8-16/h3-15H,1-2H3,(H,24,26)
InChIKeyHJGGLTFOMJMILR-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.53
Rot. Bonds5

About N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide

N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide (PubChem CID 15997458) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide
PubChem CID15997458
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1
InChIInChI=1S/C23H20N2O3/c1-15(2)27-19-10-6-9-17(13-19)22(26)24-18-11-12-21-20(14-18)25-23(28-21)16-7-4-3-5-8-16/h3-15H,1-2H3,(H,24,26)
InChIKeyHJGGLTFOMJMILR-UHFFFAOYSA-N
XLogP5.53
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-3-propan-2-yloxybenzamide
CID 29139232
3-[(2S)-butan-2-yl]oxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 40864969
N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 43913624
4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 1397151
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127526
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240
N-[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 1396240
N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
3-methyl-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127491
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 953822

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide (CID 15997458) is N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1.
What is the InChIKey of N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide?
The InChIKey is HJGGLTFOMJMILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15(2)27-19-10-6-9-17(13-19)22(26)24-18-11-12-21-20(14-18)25-23(28-21)16-7-4-3-5-8-16/h3-15H,1-2H3,(H,24,26).
What are the key properties of N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide?
N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide has a molecular weight of 372.42 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 15997458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).