4-[(Z)-indol-3-ylidenemethyl]-2-(2-methylpropyl)-1,3-oxazol-5-ol

C16H16N2O2 — CID 136843089

IUPAC4-[(Z)-indol-3-ylidenemethyl]-2-(2-methylpropyl)-1,3-oxazol-5-ol
SMILESCC(C)Cc1nc(/C=C2\C=Nc3ccccc32)c(O)o1
InChIInChI=1S/C16H16N2O2/c1-10(2)7-15-18-14(16(19)20-15)8-11-9-17-13-6-4-3-5-12(11)13/h3-6,8-10,19H,7H2,1-2H3/b11-8+
InChIKeyFHMZNURJSOJRFM-DHZHZOJOSA-N
MW268.32 g/mol
LogP3.84
Rot. Bonds3

About 4-[(Z)-indol-3-ylidenemethyl]-2-(2-methylpropyl)-1,3-oxazol-5-ol

4-[(Z)-indol-3-ylidenemethyl]-2-(2-methylpropyl)-1,3-oxazol-5-ol (PubChem CID 136843089) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[(Z)-indol-3-ylidenemethyl]-2-(2-methylpropyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(Z)-indol-3-ylidenemethyl]-2-(2-methylpropyl)-1,3-oxazol-5-ol
PubChem CID136843089
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-[(Z)-indol-3-ylidenemethyl]-2-(2-methylpropyl)-1,3-oxazol-5-ol
SMILESCC(C)Cc1nc(/C=C2\C=Nc3ccccc32)c(O)o1
InChIInChI=1S/C16H16N2O2/c1-10(2)7-15-18-14(16(19)20-15)8-11-9-17-13-6-4-3-5-12(11)13/h3-6,8-10,19H,7H2,1-2H3/b11-8+
InChIKeyFHMZNURJSOJRFM-DHZHZOJOSA-N
XLogP3.84
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-indol-3-ylidenemethyl]-2-(2-methylpropyl)-1,3-oxazol-5-ol?
The IUPAC name of 4-[(Z)-indol-3-ylidenemethyl]-2-(2-methylpropyl)-1,3-oxazol-5-ol (CID 136843089) is 4-[(Z)-indol-3-ylidenemethyl]-2-(2-methylpropyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(Z)-indol-3-ylidenemethyl]-2-(2-methylpropyl)-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(Z)-indol-3-ylidenemethyl]-2-(2-methylpropyl)-1,3-oxazol-5-ol is CC(C)Cc1nc(/C=C2\C=Nc3ccccc32)c(O)o1.
What is the InChIKey of 4-[(Z)-indol-3-ylidenemethyl]-2-(2-methylpropyl)-1,3-oxazol-5-ol?
The InChIKey is FHMZNURJSOJRFM-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10(2)7-15-18-14(16(19)20-15)8-11-9-17-13-6-4-3-5-12(11)13/h3-6,8-10,19H,7H2,1-2H3/b11-8+.
What are the key properties of 4-[(Z)-indol-3-ylidenemethyl]-2-(2-methylpropyl)-1,3-oxazol-5-ol?
4-[(Z)-indol-3-ylidenemethyl]-2-(2-methylpropyl)-1,3-oxazol-5-ol has a molecular weight of 268.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-indol-3-ylidenemethyl]-2-(2-methylpropyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 136843089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).