5-(ethoxymethyl)-3-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1,2-oxazole

C17H16FN3O4S — CID 23435661

IUPAC5-(ethoxymethyl)-3-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1,2-oxazole
SMILESCCOCc1onc(-c2ccc(F)cc2)c1-c1ccnc(S(C)(=O)=O)n1
InChIInChI=1S/C17H16FN3O4S/c1-3-24-10-14-15(13-8-9-19-17(20-13)26(2,22)23)16(21-25-14)11-4-6-12(18)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyJHJAGRFZFNAJCZ-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.88
Rot. Bonds6

About 5-(ethoxymethyl)-3-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1,2-oxazole

5-(ethoxymethyl)-3-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1,2-oxazole (PubChem CID 23435661) has the molecular formula C17H16FN3O4S and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-(ethoxymethyl)-3-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(ethoxymethyl)-3-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1,2-oxazole
PubChem CID23435661
Molecular FormulaC17H16FN3O4S
Molecular Weight377.40 g/mol
Exact Mass377.08
IUPAC Name5-(ethoxymethyl)-3-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1,2-oxazole
SMILESCCOCc1onc(-c2ccc(F)cc2)c1-c1ccnc(S(C)(=O)=O)n1
InChIInChI=1S/C17H16FN3O4S/c1-3-24-10-14-15(13-8-9-19-17(20-13)26(2,22)23)16(21-25-14)11-4-6-12(18)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyJHJAGRFZFNAJCZ-UHFFFAOYSA-N
XLogP2.88
TPSA95.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-4-[5-(ethoxymethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
CID 23435663
4-[3-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
CID 141034663
2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
CID 68676687
ethyl 2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfonylacetate
CID 6424782
[2-[4-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)-1H-imidazol-2-yl]-1,3-dioxan-2-yl]methanol
CID 90783881
2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine
CID 154072131
2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
CID 159993594
2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 71132600
2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)-7-oxidoimidazo[1,2-a]pyrazin-7-ium
CID 58869534
4-(2-ethoxy-4-pyridinyl)-3-(4-fluorophenyl)-5-methyl-1,2-oxazole
CID 58659495
6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
CID 171855251
N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67195743

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-3-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1,2-oxazole?
The IUPAC name of 5-(ethoxymethyl)-3-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1,2-oxazole (CID 23435661) is 5-(ethoxymethyl)-3-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-(ethoxymethyl)-3-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1,2-oxazole?
The canonical SMILES for 5-(ethoxymethyl)-3-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1,2-oxazole is CCOCc1onc(-c2ccc(F)cc2)c1-c1ccnc(S(C)(=O)=O)n1.
What is the InChIKey of 5-(ethoxymethyl)-3-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1,2-oxazole?
The InChIKey is JHJAGRFZFNAJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4S/c1-3-24-10-14-15(13-8-9-19-17(20-13)26(2,22)23)16(21-25-14)11-4-6-12(18)7-5-11/h4-9H,3,10H2,1-2H3.
What are the key properties of 5-(ethoxymethyl)-3-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1,2-oxazole?
5-(ethoxymethyl)-3-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1,2-oxazole has a molecular weight of 377.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-3-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1,2-oxazole is sourced from PubChem (CID 23435661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).