N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide

C25H24FN3O3 — CID 25384285

IUPACN-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1cc(COc2ccc3c(c2)CCCC3)on1
InChIInChI=1S/C25H24FN3O3/c1-29(14-20-11-18-10-19(26)7-9-23(18)27-20)25(30)24-13-22(32-28-24)15-31-21-8-6-16-4-2-3-5-17(16)12-21/h6-13,27H,2-5,14-15H2,1H3
InChIKeyZVWONUKARDRXAU-UHFFFAOYSA-N
MW433.48 g/mol
LogP5.03
Rot. Bonds6

About N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide

N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 25384285) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID25384285
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC NameN-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1cc(COc2ccc3c(c2)CCCC3)on1
InChIInChI=1S/C25H24FN3O3/c1-29(14-20-11-18-10-19(26)7-9-23(18)27-20)25(30)24-13-22(32-28-24)15-31-21-8-6-16-4-2-3-5-17(16)12-21/h6-13,27H,2-5,14-15H2,1H3
InChIKeyZVWONUKARDRXAU-UHFFFAOYSA-N
XLogP5.03
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide (CID 25384285) is N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide is CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1cc(COc2ccc3c(c2)CCCC3)on1.
What is the InChIKey of N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZVWONUKARDRXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-29(14-20-11-18-10-19(26)7-9-23(18)27-20)25(30)24-13-22(32-28-24)15-31-21-8-6-16-4-2-3-5-17(16)12-21/h6-13,27H,2-5,14-15H2,1H3.
What are the key properties of N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide?
N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25384285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).