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

C24H21FN4O4S — CID 45254574

IUPACN-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-2-methyl-1,3-benzoxazole-4-carboxamide
SMILESCc1nc2c(C(=O)NCC3OCCN3C(=O)c3nc(C)sc3-c3ccc(F)cc3)cccc2o1
InChIInChI=1S/C24H21FN4O4S/c1-13-27-20-17(4-3-5-18(20)33-13)23(30)26-12-19-29(10-11-32-19)24(31)21-22(34-14(2)28-21)15-6-8-16(25)9-7-15/h3-9,19H,10-12H2,1-2H3,(H,26,30)
InChIKeyUYDIDAONOHVQEC-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.94
Rot. Bonds5

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

N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-2-methyl-1,3-benzoxazole-4-carboxamide (PubChem CID 45254574) has the molecular formula C24H21FN4O4S and a molecular weight of 480.52 g/mol. Its IUPAC name is N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-2-methyl-1,3-benzoxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-2-methyl-1,3-benzoxazole-4-carboxamide
PubChem CID45254574
Molecular FormulaC24H21FN4O4S
Molecular Weight480.52 g/mol
Exact Mass480.13
IUPAC NameN-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-2-methyl-1,3-benzoxazole-4-carboxamide
SMILESCc1nc2c(C(=O)NCC3OCCN3C(=O)c3nc(C)sc3-c3ccc(F)cc3)cccc2o1
InChIInChI=1S/C24H21FN4O4S/c1-13-27-20-17(4-3-5-18(20)33-13)23(30)26-12-19-29(10-11-32-19)24(31)21-22(34-14(2)28-21)15-6-8-16(25)9-7-15/h3-9,19H,10-12H2,1-2H3,(H,26,30)
InChIKeyUYDIDAONOHVQEC-UHFFFAOYSA-N
XLogP3.94
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.94
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]-2-methyl-1,3-benzoxazole-4-carboxamide?
The IUPAC name of N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-2-methyl-1,3-benzoxazole-4-carboxamide (CID 45254574) is N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-2-methyl-1,3-benzoxazole-4-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]-2-methyl-1,3-benzoxazole-4-carboxamide?
The canonical SMILES for N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-2-methyl-1,3-benzoxazole-4-carboxamide is Cc1nc2c(C(=O)NCC3OCCN3C(=O)c3nc(C)sc3-c3ccc(F)cc3)cccc2o1.
What is the InChIKey of N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-2-methyl-1,3-benzoxazole-4-carboxamide?
The InChIKey is UYDIDAONOHVQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4S/c1-13-27-20-17(4-3-5-18(20)33-13)23(30)26-12-19-29(10-11-32-19)24(31)21-22(34-14(2)28-21)15-6-8-16(25)9-7-15/h3-9,19H,10-12H2,1-2H3,(H,26,30).
What are the key properties of N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-2-methyl-1,3-benzoxazole-4-carboxamide?
N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-2-methyl-1,3-benzoxazole-4-carboxamide has a molecular weight of 480.52 g/mol, XLogP of 3.94, 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]-2-methyl-1,3-benzoxazole-4-carboxamide is sourced from PubChem (CID 45254574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).