4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol

C18H14N2O3 — CID 135401716

IUPAC4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol
SMILESCC1=Nc2ccc(C)cc2/C1=C\c1nc(-c2ccco2)oc1O
InChIInChI=1S/C18H14N2O3/c1-10-5-6-14-13(8-10)12(11(2)19-14)9-15-18(21)23-17(20-15)16-4-3-7-22-16/h3-9,21H,1-2H3/b12-9-
InChIKeyVQXFFZCUIMUIFP-XFXZXTDPSA-N
MW306.32 g/mol
LogP4.60
Rot. Bonds2

About 4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol

4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol (PubChem CID 135401716) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol
PubChem CID135401716
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol
SMILESCC1=Nc2ccc(C)cc2/C1=C\c1nc(-c2ccco2)oc1O
InChIInChI=1S/C18H14N2O3/c1-10-5-6-14-13(8-10)12(11(2)19-14)9-15-18(21)23-17(20-15)16-4-3-7-22-16/h3-9,21H,1-2H3/b12-9-
InChIKeyVQXFFZCUIMUIFP-XFXZXTDPSA-N
XLogP4.60
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
CID 4574879
2-(2-methoxyphenyl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
CID 135757439
2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
CID 135608091
3-[5-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide
CID 135954910
2-(furan-2-yl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol
CID 3699852
2-(furan-2-yl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol
CID 1049844
1-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 814567
5-[(2,5-dimethylindol-3-ylidene)methyl]-4-hydroxy-3-(3-methylphenyl)-1,3-thiazole-2-thione
CID 1328812
5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione
CID 137268672
2-(furan-2-yl)-N,4-dimethylaniline
CID 145268852
3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82127717
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 62716630

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol?
The IUPAC name of 4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol (CID 135401716) is 4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol is CC1=Nc2ccc(C)cc2/C1=C\c1nc(-c2ccco2)oc1O.
What is the InChIKey of 4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol?
The InChIKey is VQXFFZCUIMUIFP-XFXZXTDPSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-10-5-6-14-13(8-10)12(11(2)19-14)9-15-18(21)23-17(20-15)16-4-3-7-22-16/h3-9,21H,1-2H3/b12-9-.
What are the key properties of 4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol?
4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol has a molecular weight of 306.32 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol is sourced from PubChem (CID 135401716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).