3,5-diethyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide

C18H18FN3O2S — CID 46968914

IUPAC3,5-diethyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(CC)c1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C18H18FN3O2S/c1-3-14-16(15(4-2)24-22-14)17(23)21-18-20-10-13(25-18)9-11-5-7-12(19)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,20,21,23)
InChIKeyAUJGIOMJJNWHLO-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.24
Rot. Bonds6

About 3,5-diethyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide

3,5-diethyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide (PubChem CID 46968914) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 3,5-diethyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-diethyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
PubChem CID46968914
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name3,5-diethyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(CC)c1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C18H18FN3O2S/c1-3-14-16(15(4-2)24-22-14)17(23)21-18-20-10-13(25-18)9-11-5-7-12(19)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,20,21,23)
InChIKeyAUJGIOMJJNWHLO-UHFFFAOYSA-N
XLogP4.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-diethyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide (CID 46968914) is 3,5-diethyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-diethyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-diethyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide is CCc1noc(CC)c1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1.
What is the InChIKey of 3,5-diethyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is AUJGIOMJJNWHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-3-14-16(15(4-2)24-22-14)17(23)21-18-20-10-13(25-18)9-11-5-7-12(19)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,20,21,23).
What are the key properties of 3,5-diethyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide?
3,5-diethyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46968914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).