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

C19H14FN3O3S — CID 71795531

IUPACN-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nc(-c2ccccc2F)sc1CNC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C19H14FN3O3S/c1-11-17(27-19(22-11)12-5-2-3-6-13(12)20)10-21-18(24)14-9-16(26-23-14)15-7-4-8-25-15/h2-9H,10H2,1H3,(H,21,24)
InChIKeyVQJGGOPXSCYTDK-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.44
Rot. Bonds5

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

N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 71795531) has the molecular formula C19H14FN3O3S and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID71795531
Molecular FormulaC19H14FN3O3S
Molecular Weight383.40 g/mol
Exact Mass383.07
IUPAC NameN-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nc(-c2ccccc2F)sc1CNC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C19H14FN3O3S/c1-11-17(27-19(22-11)12-5-2-3-6-13(12)20)10-21-18(24)14-9-16(26-23-14)15-7-4-8-25-15/h2-9H,10H2,1H3,(H,21,24)
InChIKeyVQJGGOPXSCYTDK-UHFFFAOYSA-N
XLogP4.44
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 71795531) is N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is Cc1nc(-c2ccccc2F)sc1CNC(=O)c1cc(-c2ccco2)on1.
What is the InChIKey of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is VQJGGOPXSCYTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S/c1-11-17(27-19(22-11)12-5-2-3-6-13(12)20)10-21-18(24)14-9-16(26-23-14)15-7-4-8-25-15/h2-9H,10H2,1H3,(H,21,24).
What are the key properties of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71795531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).