2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol

C20H14N2O4 — CID 135608091

IUPAC2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
SMILESCC1=Nc2ccccc2/C1=C/c1nc(-c2ccc3c(c2)OCO3)oc1O
InChIInChI=1S/C20H14N2O4/c1-11-14(13-4-2-3-5-15(13)21-11)9-16-20(23)26-19(22-16)12-6-7-17-18(8-12)25-10-24-17/h2-9,23H,10H2,1H3/b14-9+
InChIKeyNJUVQTFTTGMRAJ-NTEUORMPSA-N
MW346.34 g/mol
LogP4.42
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol

2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol (PubChem CID 135608091) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
PubChem CID135608091
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
SMILESCC1=Nc2ccccc2/C1=C/c1nc(-c2ccc3c(c2)OCO3)oc1O
InChIInChI=1S/C20H14N2O4/c1-11-14(13-4-2-3-5-15(13)21-11)9-16-20(23)26-19(22-16)12-6-7-17-18(8-12)25-10-24-17/h2-9,23H,10H2,1H3/b14-9+
InChIKeyNJUVQTFTTGMRAJ-NTEUORMPSA-N
XLogP4.42
TPSA77.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol with MolForge

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Related Compounds

3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide
CID 135954910
4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
CID 135420907
2-(2-methoxyphenyl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
CID 135757439
1-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 1142765
1-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 135467576
4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol
CID 135401716
1-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 814567
2-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
CID 2372912
2-(4-fluorophenyl)-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol
CID 135683156
2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]acetonitrile
CID 82084841
2-[6-(1,3-benzodioxol-5-yl)-1,3-benzoxazol-2-yl]-6-fluorophenol
CID 136749194
ethyl 5-amino-2-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxylate
CID 66010372

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol (CID 135608091) is 2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol is CC1=Nc2ccccc2/C1=C/c1nc(-c2ccc3c(c2)OCO3)oc1O.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol?
The InChIKey is NJUVQTFTTGMRAJ-NTEUORMPSA-N. The full InChI is InChI=1S/C20H14N2O4/c1-11-14(13-4-2-3-5-15(13)21-11)9-16-20(23)26-19(22-16)12-6-7-17-18(8-12)25-10-24-17/h2-9,23H,10H2,1H3/b14-9+.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol?
2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol has a molecular weight of 346.34 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 135608091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).