N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide

C17H16N2O3 — CID 110729007

IUPACN-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide
SMILESCc1nc2ccc(NC(=O)CCOc3ccccc3)cc2o1
InChIInChI=1S/C17H16N2O3/c1-12-18-15-8-7-13(11-16(15)22-12)19-17(20)9-10-21-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyIBIQHYIZHLFKHS-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.54
Rot. Bonds5

About N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide

N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide (PubChem CID 110729007) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide
PubChem CID110729007
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide
SMILESCc1nc2ccc(NC(=O)CCOc3ccccc3)cc2o1
InChIInChI=1S/C17H16N2O3/c1-12-18-15-8-7-13(11-16(15)22-12)19-17(20)9-10-21-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyIBIQHYIZHLFKHS-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

5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid
CID 115163815
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 110729012
N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide
CID 110358500
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 37040636
3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924240
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-phenoxypropanamide
CID 110725650
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115157214
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-phenoxypropanamide
CID 4781570
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenoxybutanamide
CID 4800116
2-hydroxy-N-(2-methyl-1,3-benzoxazol-6-yl)-2-phenylacetamide
CID 111536513

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide (CID 110729007) is N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide is Cc1nc2ccc(NC(=O)CCOc3ccccc3)cc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide?
The InChIKey is IBIQHYIZHLFKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12-18-15-8-7-13(11-16(15)22-12)19-17(20)9-10-21-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,19,20).
What are the key properties of N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide?
N-(2-methyl-1,3-benzoxazol-6-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-6-yl)-3-phenoxypropanamide is sourced from PubChem (CID 110729007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).