N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2H-1,3-oxazol-2-yl]methyl]-1-methylindole-3-carboxamide

C25H21FN4O3S — CID 45254192

IUPACN-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2H-1,3-oxazol-2-yl]methyl]-1-methylindole-3-carboxamide
SMILESCc1nc(C(=O)N2C=COC2CNC(=O)c2cn(C)c3ccccc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C25H21FN4O3S/c1-15-28-22(23(34-15)16-7-9-17(26)10-8-16)25(32)30-11-12-33-21(30)13-27-24(31)19-14-29(2)20-6-4-3-5-18(19)20/h3-12,14,21H,13H2,1-2H3,(H,27,31)
InChIKeyKIHYWZPTRYOUIS-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.45
Rot. Bonds5

About N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2H-1,3-oxazol-2-yl]methyl]-1-methylindole-3-carboxamide

N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2H-1,3-oxazol-2-yl]methyl]-1-methylindole-3-carboxamide (PubChem CID 45254192) has the molecular formula C25H21FN4O3S and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2H-1,3-oxazol-2-yl]methyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2H-1,3-oxazol-2-yl]methyl]-1-methylindole-3-carboxamide
PubChem CID45254192
Molecular FormulaC25H21FN4O3S
Molecular Weight476.53 g/mol
Exact Mass476.13
IUPAC NameN-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2H-1,3-oxazol-2-yl]methyl]-1-methylindole-3-carboxamide
SMILESCc1nc(C(=O)N2C=COC2CNC(=O)c2cn(C)c3ccccc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C25H21FN4O3S/c1-15-28-22(23(34-15)16-7-9-17(26)10-8-16)25(32)30-11-12-33-21(30)13-27-24(31)19-14-29(2)20-6-4-3-5-18(19)20/h3-12,14,21H,13H2,1-2H3,(H,27,31)
InChIKeyKIHYWZPTRYOUIS-UHFFFAOYSA-N
XLogP4.45
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-2H-1,3-oxazol-2-yl]methyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2H-1,3-oxazol-2-yl]methyl]-1-methylindole-3-carboxamide (CID 45254192) is N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2H-1,3-oxazol-2-yl]methyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2H-1,3-oxazol-2-yl]methyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2H-1,3-oxazol-2-yl]methyl]-1-methylindole-3-carboxamide is Cc1nc(C(=O)N2C=COC2CNC(=O)c2cn(C)c3ccccc23)c(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2H-1,3-oxazol-2-yl]methyl]-1-methylindole-3-carboxamide?
The InChIKey is KIHYWZPTRYOUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3S/c1-15-28-22(23(34-15)16-7-9-17(26)10-8-16)25(32)30-11-12-33-21(30)13-27-24(31)19-14-29(2)20-6-4-3-5-18(19)20/h3-12,14,21H,13H2,1-2H3,(H,27,31).
What are the key properties of N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2H-1,3-oxazol-2-yl]methyl]-1-methylindole-3-carboxamide?
N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2H-1,3-oxazol-2-yl]methyl]-1-methylindole-3-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2H-1,3-oxazol-2-yl]methyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 45254192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).