2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide

C15H20N2O3 — CID 135973066

IUPAC2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)CC1CC(c2ccc(O)cc2)=NO1
InChIInChI=1S/C15H20N2O3/c1-3-8-17(2)15(19)10-13-9-14(16-20-13)11-4-6-12(18)7-5-11/h4-7,13,18H,3,8-10H2,1-2H3
InChIKeyGQRGSTYHKRMPAU-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.14
Rot. Bonds5

About 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide

2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide (PubChem CID 135973066) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide
PubChem CID135973066
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)CC1CC(c2ccc(O)cc2)=NO1
InChIInChI=1S/C15H20N2O3/c1-3-8-17(2)15(19)10-13-9-14(16-20-13)11-4-6-12(18)7-5-11/h4-7,13,18H,3,8-10H2,1-2H3
InChIKeyGQRGSTYHKRMPAU-UHFFFAOYSA-N
XLogP2.14
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-Hydroxy-phenyl)-4,5-dihydro-isoxazol-5-yl]-piperidin-1-yl-methanone
CID 3158142
Tert-butyl 4-(2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetamido)butylcarbamate
CID 136043745
2-[5-(1-Pyrrolidinylcarbonyl)-4,5-dihydro-3-isoxazolyl]phenol
CID 2962273
N-cyclohexyl-2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetamide
CID 135973104
N-(4-aminobutyl)-2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetamide
CID 136043748
1-(2-(3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)pyrrolidine-2,5-dione
CID 135965913
N-((3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)pivalamide
CID 135965914
N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)pivalamide
CID 135966062
N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)-3-methylbutanamide
CID 136123461
N-((3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-methylbutanamide
CID 136123462
4-[5-[(Dimethylamino)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenol
CID 136126524
Cogpyrrolidine A
CID 170990783

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide?
The IUPAC name of 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide (CID 135973066) is 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide is CCCN(C)C(=O)CC1CC(c2ccc(O)cc2)=NO1.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide?
The InChIKey is GQRGSTYHKRMPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-8-17(2)15(19)10-13-9-14(16-20-13)11-4-6-12(18)7-5-11/h4-7,13,18H,3,8-10H2,1-2H3.
What are the key properties of 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide?
2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide has a molecular weight of 276.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide is sourced from PubChem (CID 135973066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).