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

C19H17FN2O3 — CID 56794144

IUPACN-[(3-fluoro-4-hydroxyphenyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(O)c(F)c1
InChIInChI=1S/C19H17FN2O3/c1-12-16(22-19(25-12)14-5-3-2-4-6-14)10-18(24)21-11-13-7-8-17(23)15(20)9-13/h2-9,23H,10-11H2,1H3,(H,21,24)
InChIKeyDYVDGWGRGLUMJX-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.35
Rot. Bonds5

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

N-[(3-fluoro-4-hydroxyphenyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 56794144) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[(3-fluoro-4-hydroxyphenyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-hydroxyphenyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID56794144
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-[(3-fluoro-4-hydroxyphenyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(O)c(F)c1
InChIInChI=1S/C19H17FN2O3/c1-12-16(22-19(25-12)14-5-3-2-4-6-14)10-18(24)21-11-13-7-8-17(23)15(20)9-13/h2-9,23H,10-11H2,1H3,(H,21,24)
InChIKeyDYVDGWGRGLUMJX-UHFFFAOYSA-N
XLogP3.35
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Muraglitazar
CID 206044
GW 409544
CID 446642
N-cyclohexyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3239761
N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3243889
2-({[2-(4-Ethoxyphenyl)-5-methyl-1,3-oxazol-4-YL]methyl}sulfanyl)-N-(2-phenylethyl)acetamide
CID 4174345
N-[(4-Methoxyphenyl)methyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methanesulfinyl}acetamide
CID 5309194
Unii-W6E59kdd9D
CID 9822722
2-((4-(2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)(benzyl)amino)acetic acid
CID 9825302
3-(2-((Isopropoxycarbonyl)methyl)-4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)propanoic acid
CID 10205220
(3R,4S)-1-ethoxycarbonyl-4-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 10345547
(3R,4S)-1-ethoxycarbonyl-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 10390333
5-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-(2-methylpropoxycarbonyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 10414708

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-hydroxyphenyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[(3-fluoro-4-hydroxyphenyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (CID 56794144) is N-[(3-fluoro-4-hydroxyphenyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(3-fluoro-4-hydroxyphenyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(3-fluoro-4-hydroxyphenyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(O)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-hydroxyphenyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is DYVDGWGRGLUMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-12-16(22-19(25-12)14-5-3-2-4-6-14)10-18(24)21-11-13-7-8-17(23)15(20)9-13/h2-9,23H,10-11H2,1H3,(H,21,24).
What are the key properties of N-[(3-fluoro-4-hydroxyphenyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[(3-fluoro-4-hydroxyphenyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 340.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-hydroxyphenyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 56794144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).