2-[5-[2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid

C21H24N2O5 — CID 11176575

IUPAC2-[5-[2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid
SMILESCc1oc(C2CCOCC2)nc1CCOc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C21H24N2O5/c1-14-18(22-21(28-14)15-5-9-26-10-6-15)7-11-27-17-2-3-19-16(12-17)4-8-23(19)13-20(24)25/h2-4,8,12,15H,5-7,9-11,13H2,1H3,(H,24,25)
InChIKeyZOHNXJHXYYJEIF-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.54
Rot. Bonds7

About 2-[5-[2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid

2-[5-[2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid (PubChem CID 11176575) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[5-[2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid
PubChem CID11176575
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-[5-[2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid
SMILESCc1oc(C2CCOCC2)nc1CCOc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C21H24N2O5/c1-14-18(22-21(28-14)15-5-9-26-10-6-15)7-11-27-17-2-3-19-16(12-17)4-8-23(19)13-20(24)25/h2-4,8,12,15H,5-7,9-11,13H2,1H3,(H,24,25)
InChIKeyZOHNXJHXYYJEIF-UHFFFAOYSA-N
XLogP3.54
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid (CID 11176575) is 2-[5-[2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid is Cc1oc(C2CCOCC2)nc1CCOc1ccc2c(ccn2CC(=O)O)c1.
What is the InChIKey of 2-[5-[2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid?
The InChIKey is ZOHNXJHXYYJEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14-18(22-21(28-14)15-5-9-26-10-6-15)7-11-27-17-2-3-19-16(12-17)4-8-23(19)13-20(24)25/h2-4,8,12,15H,5-7,9-11,13H2,1H3,(H,24,25).
What are the key properties of 2-[5-[2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid?
2-[5-[2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid has a molecular weight of 384.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid is sourced from PubChem (CID 11176575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).