3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide

C19H20N2O3 — CID 60572554

IUPAC3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C19H20N2O3/c1-3-23-16-8-4-14(5-9-16)6-11-19(22)21-15-7-10-18-17(12-15)20-13(2)24-18/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,21,22)
InChIKeyDRUAQCWGCDYWHF-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.11
Rot. Bonds6

About 3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide

3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 60572554) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID60572554
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C19H20N2O3/c1-3-23-16-8-4-14(5-9-16)6-11-19(22)21-15-7-10-18-17(12-15)20-13(2)24-18/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,21,22)
InChIKeyDRUAQCWGCDYWHF-UHFFFAOYSA-N
XLogP4.11
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide
CID 110390639
N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226004
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390658
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 37040636
N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390691
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226053
4-ethoxy-N-[(2S)-3-methyl-1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]benzamide
CID 34747353
ethyl N-methyl-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]carbamate
CID 47051874
2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 34303569
N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390669

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide (CID 60572554) is 3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide is CCOc1ccc(CCC(=O)Nc2ccc3oc(C)nc3c2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is DRUAQCWGCDYWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-23-16-8-4-14(5-9-16)6-11-19(22)21-15-7-10-18-17(12-15)20-13(2)24-18/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,21,22).
What are the key properties of 3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 324.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 60572554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).