[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate

C15H12FN3O3S — CID 16612079

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H12FN3O3S/c1-8-12(13(17)22-19-8)15(20)21-6-11-7-23-14(18-11)9-2-4-10(16)5-3-9/h2-5,7H,6,17H2,1H3
InChIKeyFVSRADZEWISEEE-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.18
Rot. Bonds4

About [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 16612079) has the molecular formula C15H12FN3O3S and a molecular weight of 333.34 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID16612079
Molecular FormulaC15H12FN3O3S
Molecular Weight333.34 g/mol
Exact Mass333.06
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H12FN3O3S/c1-8-12(13(17)22-19-8)15(20)21-6-11-7-23-14(18-11)9-2-4-10(16)5-3-9/h2-5,7H,6,17H2,1H3
InChIKeyFVSRADZEWISEEE-UHFFFAOYSA-N
XLogP3.18
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 16612079) is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate is Cc1noc(N)c1C(=O)OCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is FVSRADZEWISEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S/c1-8-12(13(17)22-19-8)15(20)21-6-11-7-23-14(18-11)9-2-4-10(16)5-3-9/h2-5,7H,6,17H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 333.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 16612079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).