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

C16H19FN2O3 — CID 18200881

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)Cc2c(C)noc2C)cc1F
InChIInChI=1S/C16H19FN2O3/c1-9(12-5-6-15(21-4)14(17)7-12)18-16(20)8-13-10(2)19-22-11(13)3/h5-7,9H,8H2,1-4H3,(H,18,20)
InChIKeyARXIOGJCCDNBAU-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.86
Rot. Bonds5

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide (PubChem CID 18200881) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
PubChem CID18200881
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)Cc2c(C)noc2C)cc1F
InChIInChI=1S/C16H19FN2O3/c1-9(12-5-6-15(21-4)14(17)7-12)18-16(20)8-13-10(2)19-22-11(13)3/h5-7,9H,8H2,1-4H3,(H,18,20)
InChIKeyARXIOGJCCDNBAU-UHFFFAOYSA-N
XLogP2.86
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 97065846
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 56871484
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 122558401
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]acetamide
CID 96548771
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 47008758
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 51073344
5-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62966105
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-pyridin-2-ylacetamide
CID 56704438
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949949
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94016916
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 18200774

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide (CID 18200881) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(C)NC(=O)Cc2c(C)noc2C)cc1F.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide?
The InChIKey is ARXIOGJCCDNBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-9(12-5-6-15(21-4)14(17)7-12)18-16(20)8-13-10(2)19-22-11(13)3/h5-7,9H,8H2,1-4H3,(H,18,20).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide has a molecular weight of 306.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 18200881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).