N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C21H22N2O3 — CID 60565951

IUPACN-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCCOc1ccccc1CNC(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C21H22N2O3/c1-2-25-18-11-7-6-10-17(18)14-22-20(24)12-13-21-23-15-19(26-21)16-8-4-3-5-9-16/h3-11,15H,2,12-14H2,1H3,(H,22,24)
InChIKeyXETKBJKPJVHILX-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.99
Rot. Bonds8

About N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 60565951) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID60565951
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCCOc1ccccc1CNC(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C21H22N2O3/c1-2-25-18-11-7-6-10-17(18)14-22-20(24)12-13-21-23-15-19(26-21)16-8-4-3-5-9-16/h3-11,15H,2,12-14H2,1H3,(H,22,24)
InChIKeyXETKBJKPJVHILX-UHFFFAOYSA-N
XLogP3.99
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
N-[(2-fluorophenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17493813
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119505974
3-(5-phenyl-1,3-oxazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134021509
N-[2-(diethylamino)-2-phenylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18167213
N-[2-(2-methoxyethoxy)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 86985390
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51314587
2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide
CID 41355513

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 60565951) is N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is CCOc1ccccc1CNC(=O)CCc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is XETKBJKPJVHILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-25-18-11-7-6-10-17(18)14-22-20(24)12-13-21-23-15-19(26-21)16-8-4-3-5-9-16/h3-11,15H,2,12-14H2,1H3,(H,22,24).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 60565951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).