3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide

C17H21FN2O3 — CID 75461361

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)CCc1c(C)noc1C
InChIInChI=1S/C17H21FN2O3/c1-10(15-9-13(18)5-7-16(15)22-4)19-17(21)8-6-14-11(2)20-23-12(14)3/h5,7,9-10H,6,8H2,1-4H3,(H,19,21)
InChIKeyHUELFIGCOVHKAH-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.25
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide (PubChem CID 75461361) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide
PubChem CID75461361
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)CCc1c(C)noc1C
InChIInChI=1S/C17H21FN2O3/c1-10(15-9-13(18)5-7-16(15)22-4)19-17(21)8-6-14-11(2)20-23-12(14)3/h5,7,9-10H,6,8H2,1-4H3,(H,19,21)
InChIKeyHUELFIGCOVHKAH-UHFFFAOYSA-N
XLogP3.25
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 9264410
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 9264412
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200881
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 8573157
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 9478271
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 42886980
(2S,3S)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylpentanoic acid
CID 61132680
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methoxypropanoic acid
CID 81076465
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 78791262
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid
CID 43238767
methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate
CID 51072879

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide (CID 75461361) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide is COc1ccc(F)cc1C(C)NC(=O)CCc1c(C)noc1C.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide?
The InChIKey is HUELFIGCOVHKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-10(15-9-13(18)5-7-16(15)22-4)19-17(21)8-6-14-11(2)20-23-12(14)3/h5,7,9-10H,6,8H2,1-4H3,(H,19,21).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide has a molecular weight of 320.36 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 75461361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).