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

C24H20FN5O3S — CID 45254759

IUPACN-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]quinoxaline-5-carboxamide
SMILESCc1nc(C(=O)N2CCOC2CNC(=O)c2cccc3nccnc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H20FN5O3S/c1-14-29-21(22(34-14)15-5-7-16(25)8-6-15)24(32)30-11-12-33-19(30)13-28-23(31)17-3-2-4-18-20(17)27-10-9-26-18/h2-10,19H,11-13H2,1H3,(H,28,31)
InChIKeyXUMGDLYZXYXRIL-UHFFFAOYSA-N
MW477.52 g/mol
LogP3.43
Rot. Bonds5

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

N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]quinoxaline-5-carboxamide (PubChem CID 45254759) has the molecular formula C24H20FN5O3S and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]quinoxaline-5-carboxamide
PubChem CID45254759
Molecular FormulaC24H20FN5O3S
Molecular Weight477.52 g/mol
Exact Mass477.13
IUPAC NameN-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]quinoxaline-5-carboxamide
SMILESCc1nc(C(=O)N2CCOC2CNC(=O)c2cccc3nccnc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H20FN5O3S/c1-14-29-21(22(34-14)15-5-7-16(25)8-6-15)24(32)30-11-12-33-19(30)13-28-23(31)17-3-2-4-18-20(17)27-10-9-26-18/h2-10,19H,11-13H2,1H3,(H,28,31)
InChIKeyXUMGDLYZXYXRIL-UHFFFAOYSA-N
XLogP3.43
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide
CID 10278092
3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 45254955
N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperazin-2-yl]methyl]quinoline-8-carboxamide
CID 10163381
2,2-difluoro-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-3H-1-benzofuran-7-carboxamide
CID 45256709
2-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,3-benzothiazole-5-carboxamide
CID 45256532
N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-2-methyl-1,3-benzoxazole-7-carboxamide
CID 91258637
2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide
CID 91133140
N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018139
N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 91282091
N-[[5,5-difluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 71715391
[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methylcarbamic acid
CID 140553017
[2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 68607371

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]quinoxaline-5-carboxamide?
The IUPAC name of N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]quinoxaline-5-carboxamide (CID 45254759) is N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]quinoxaline-5-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]quinoxaline-5-carboxamide?
The canonical SMILES for N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]quinoxaline-5-carboxamide is Cc1nc(C(=O)N2CCOC2CNC(=O)c2cccc3nccnc23)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]quinoxaline-5-carboxamide?
The InChIKey is XUMGDLYZXYXRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3S/c1-14-29-21(22(34-14)15-5-7-16(25)8-6-15)24(32)30-11-12-33-19(30)13-28-23(31)17-3-2-4-18-20(17)27-10-9-26-18/h2-10,19H,11-13H2,1H3,(H,28,31).
What are the key properties of N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]quinoxaline-5-carboxamide?
N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]quinoxaline-5-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 3.43, 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]quinoxaline-5-carboxamide is sourced from PubChem (CID 45254759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).