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

C16H21FN2O3 — CID 135973100

IUPAC2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C)C(=O)CC1CC(c2ccc(O)cc2F)=NO1
InChIInChI=1S/C16H21FN2O3/c1-10(2)9-19(3)16(21)8-12-7-15(18-22-12)13-5-4-11(20)6-14(13)17/h4-6,10,12,20H,7-9H2,1-3H3
InChIKeyKAAGBDOIZGNGJT-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.53
Rot. Bonds5

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

2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide (PubChem CID 135973100) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide
PubChem CID135973100
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C)C(=O)CC1CC(c2ccc(O)cc2F)=NO1
InChIInChI=1S/C16H21FN2O3/c1-10(2)9-19(3)16(21)8-12-7-15(18-22-12)13-5-4-11(20)6-14(13)17/h4-6,10,12,20H,7-9H2,1-3H3
InChIKeyKAAGBDOIZGNGJT-UHFFFAOYSA-N
XLogP2.53
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5s)-3-(3-Fluoro-4-Hydroxyphenyl)-4,5-Dihydro-1,2-Oxazol-5-Yl]propan-2-One
CID 136494499
(R)-1-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)-4,4-dimethylpentan-2-one
CID 136043766
Tert-butyl 4-(2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetamido)butylcarbamate
CID 136043745
CID 136629343
CID 136629343
(S)-1-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)-4,4-dimethylpentan-2-one
CID 136043769
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
2,2,2-trifluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)acetamide
CID 135966020
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide (CID 135973100) is 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide is CC(C)CN(C)C(=O)CC1CC(c2ccc(O)cc2F)=NO1.
What is the InChIKey of 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide?
The InChIKey is KAAGBDOIZGNGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-10(2)9-19(3)16(21)8-12-7-15(18-22-12)13-5-4-11(20)6-14(13)17/h4-6,10,12,20H,7-9H2,1-3H3.
What are the key properties of 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide?
2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide has a molecular weight of 308.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 135973100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).