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

C24H22FN5O3S — CID 45254391

IUPACN-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide
SMILESCc1nc(C(=O)N2CCOC2CNC(=O)c2nn(C)c3ccccc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H22FN5O3S/c1-14-27-21(22(34-14)15-7-9-16(25)10-8-15)24(32)30-11-12-33-19(30)13-26-23(31)20-17-5-3-4-6-18(17)29(2)28-20/h3-10,19H,11-13H2,1-2H3,(H,26,31)
InChIKeyIALODONHPOYNIW-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.37
Rot. Bonds5

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

N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide (PubChem CID 45254391) has the molecular formula C24H22FN5O3S and a molecular weight of 479.54 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-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide
PubChem CID45254391
Molecular FormulaC24H22FN5O3S
Molecular Weight479.54 g/mol
Exact Mass479.14
IUPAC NameN-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide
SMILESCc1nc(C(=O)N2CCOC2CNC(=O)c2nn(C)c3ccccc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H22FN5O3S/c1-14-27-21(22(34-14)15-7-9-16(25)10-8-15)24(32)30-11-12-33-19(30)13-26-23(31)20-17-5-3-4-6-18(17)29(2)28-20/h3-10,19H,11-13H2,1-2H3,(H,26,31)
InChIKeyIALODONHPOYNIW-UHFFFAOYSA-N
XLogP3.37
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.37
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-methylindazole-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-methylindazole-3-carboxamide (CID 45254391) is N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1-methylindazole-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-methylindazole-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-methylindazole-3-carboxamide is Cc1nc(C(=O)N2CCOC2CNC(=O)c2nn(C)c3ccccc23)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-methylindazole-3-carboxamide?
The InChIKey is IALODONHPOYNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3S/c1-14-27-21(22(34-14)15-7-9-16(25)10-8-15)24(32)30-11-12-33-19(30)13-26-23(31)20-17-5-3-4-6-18(17)29(2)28-20/h3-10,19H,11-13H2,1-2H3,(H,26,31).
What are the key properties of N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide?
N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 3.37, 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-methylindazole-3-carboxamide is sourced from PubChem (CID 45254391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).