(3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate

C16H13FN2O3S — CID 43040371

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCc1cc(COC(=O)Cc2csc(-c3cccc(F)c3)n2)on1
InChIInChI=1S/C16H13FN2O3S/c1-10-5-14(22-19-10)8-21-15(20)7-13-9-23-16(18-13)11-3-2-4-12(17)6-11/h2-6,9H,7-8H2,1H3
InChIKeyUHBLOQKSEKUMBN-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.53
Rot. Bonds5

About (3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate

(3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 43040371) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate
PubChem CID43040371
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCc1cc(COC(=O)Cc2csc(-c3cccc(F)c3)n2)on1
InChIInChI=1S/C16H13FN2O3S/c1-10-5-14(22-19-10)8-21-15(20)7-13-9-23-16(18-13)11-3-2-4-12(17)6-11/h2-6,9H,7-8H2,1H3
InChIKeyUHBLOQKSEKUMBN-UHFFFAOYSA-N
XLogP3.53
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 40767085
methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039584
ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 107380235
ethyl 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 12953395
(5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 16601599
ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate
CID 78990286
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86920323
5-[(3-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 60681199
ethyl 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 81273605
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide
CID 27568985
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 51874973
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate (CID 43040371) is (3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate is Cc1cc(COC(=O)Cc2csc(-c3cccc(F)c3)n2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is UHBLOQKSEKUMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-10-5-14(22-19-10)8-21-15(20)7-13-9-23-16(18-13)11-3-2-4-12(17)6-11/h2-6,9H,7-8H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate?
(3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 332.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43040371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).