N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide

C17H16N2O3 — CID 110358500

IUPACN-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide
SMILESCc1nc2cccc(NC(=O)CCOc3ccccc3)c2o1
InChIInChI=1S/C17H16N2O3/c1-12-18-14-8-5-9-15(17(14)22-12)19-16(20)10-11-21-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyZZJFIQUBJPLKLF-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.54
Rot. Bonds5

About N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide

N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide (PubChem CID 110358500) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide
PubChem CID110358500
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide
SMILESCc1nc2cccc(NC(=O)CCOc3ccccc3)c2o1
InChIInChI=1S/C17H16N2O3/c1-12-18-14-8-5-9-15(17(14)22-12)19-16(20)10-11-21-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyZZJFIQUBJPLKLF-UHFFFAOYSA-N
XLogP3.54
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide
CID 110417896
N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide
CID 110729007
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
N-(2-methyl-1,3-benzoxazol-7-yl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110356710
N-(2-methyl-1,3-benzoxazol-7-yl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110356766
N-(2-iodophenyl)-3-phenoxypropanamide
CID 26087738
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
(E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide
CID 110415840
(2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide
CID 110616979
N-[2-(1-hydroxyethyl)phenyl]-3-phenoxypropanamide
CID 43508522
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide
CID 110734418
N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide
CID 118758671

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide (CID 110358500) is N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide is Cc1nc2cccc(NC(=O)CCOc3ccccc3)c2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide?
The InChIKey is ZZJFIQUBJPLKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12-18-14-8-5-9-15(17(14)22-12)19-16(20)10-11-21-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide?
N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide has a molecular weight of 296.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide is sourced from PubChem (CID 110358500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).