N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide

C23H19FN4O4S — CID 45254571

IUPACN-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide
SMILESCc1nc(C(=O)N2CCOC2CNC(=O)c2noc3ccccc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C23H19FN4O4S/c1-13-26-20(21(33-13)14-6-8-15(24)9-7-14)23(30)28-10-11-31-18(28)12-25-22(29)19-16-4-2-3-5-17(16)32-27-19/h2-9,18H,10-12H2,1H3,(H,25,29)
InChIKeyUQRALFLVSJEFEW-UHFFFAOYSA-N
MW466.49 g/mol
LogP3.63
Rot. Bonds5

About N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide

N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide (PubChem CID 45254571) has the molecular formula C23H19FN4O4S and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide
PubChem CID45254571
Molecular FormulaC23H19FN4O4S
Molecular Weight466.49 g/mol
Exact Mass466.11
IUPAC NameN-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide
SMILESCc1nc(C(=O)N2CCOC2CNC(=O)c2noc3ccccc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C23H19FN4O4S/c1-13-26-20(21(33-13)14-6-8-15(24)9-7-14)23(30)28-10-11-31-18(28)12-25-22(29)19-16-4-2-3-5-17(16)32-27-19/h2-9,18H,10-12H2,1H3,(H,25,29)
InChIKeyUQRALFLVSJEFEW-UHFFFAOYSA-N
XLogP3.63
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide (CID 45254571) is N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide is Cc1nc(C(=O)N2CCOC2CNC(=O)c2noc3ccccc23)c(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide?
The InChIKey is UQRALFLVSJEFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O4S/c1-13-26-20(21(33-13)14-6-8-15(24)9-7-14)23(30)28-10-11-31-18(28)12-25-22(29)19-16-4-2-3-5-17(16)32-27-19/h2-9,18H,10-12H2,1H3,(H,25,29).
What are the key properties of N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide?
N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide has a molecular weight of 466.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 45254571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).