4-[(E)-(2-methylindol-3-ylidene)methyl]-2-phenyl-1,3-oxazol-5-ol

C19H14N2O2 — CID 135501962

IUPAC4-[(E)-(2-methylindol-3-ylidene)methyl]-2-phenyl-1,3-oxazol-5-ol
SMILESCC1=Nc2ccccc2/C1=C\c1nc(-c2ccccc2)oc1O
InChIInChI=1S/C19H14N2O2/c1-12-15(14-9-5-6-10-16(14)20-12)11-17-19(22)23-18(21-17)13-7-3-2-4-8-13/h2-11,22H,1H3/b15-11-
InChIKeyPLQXOJCBVIRMCS-PTNGSMBKSA-N
MW302.33 g/mol
LogP4.69
Rot. Bonds2

About 4-[(E)-(2-methylindol-3-ylidene)methyl]-2-phenyl-1,3-oxazol-5-ol

4-[(E)-(2-methylindol-3-ylidene)methyl]-2-phenyl-1,3-oxazol-5-ol (PubChem CID 135501962) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[(E)-(2-methylindol-3-ylidene)methyl]-2-phenyl-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(E)-(2-methylindol-3-ylidene)methyl]-2-phenyl-1,3-oxazol-5-ol
PubChem CID135501962
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name4-[(E)-(2-methylindol-3-ylidene)methyl]-2-phenyl-1,3-oxazol-5-ol
SMILESCC1=Nc2ccccc2/C1=C\c1nc(-c2ccccc2)oc1O
InChIInChI=1S/C19H14N2O2/c1-12-15(14-9-5-6-10-16(14)20-12)11-17-19(22)23-18(21-17)13-7-3-2-4-8-13/h2-11,22H,1H3/b15-11-
InChIKeyPLQXOJCBVIRMCS-PTNGSMBKSA-N
XLogP4.69
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(2-methylindol-3-ylidene)methyl]-2-phenyl-1,3-oxazol-5-ol?
The IUPAC name of 4-[(E)-(2-methylindol-3-ylidene)methyl]-2-phenyl-1,3-oxazol-5-ol (CID 135501962) is 4-[(E)-(2-methylindol-3-ylidene)methyl]-2-phenyl-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(E)-(2-methylindol-3-ylidene)methyl]-2-phenyl-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(E)-(2-methylindol-3-ylidene)methyl]-2-phenyl-1,3-oxazol-5-ol is CC1=Nc2ccccc2/C1=C\c1nc(-c2ccccc2)oc1O.
What is the InChIKey of 4-[(E)-(2-methylindol-3-ylidene)methyl]-2-phenyl-1,3-oxazol-5-ol?
The InChIKey is PLQXOJCBVIRMCS-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-12-15(14-9-5-6-10-16(14)20-12)11-17-19(22)23-18(21-17)13-7-3-2-4-8-13/h2-11,22H,1H3/b15-11-.
What are the key properties of 4-[(E)-(2-methylindol-3-ylidene)methyl]-2-phenyl-1,3-oxazol-5-ol?
4-[(E)-(2-methylindol-3-ylidene)methyl]-2-phenyl-1,3-oxazol-5-ol has a molecular weight of 302.33 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(2-methylindol-3-ylidene)methyl]-2-phenyl-1,3-oxazol-5-ol is sourced from PubChem (CID 135501962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).