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

C19H13ClN2O2 — CID 4574879

IUPAC2-(3-chlorophenyl)-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
SMILESCC1=Nc2ccccc2C1=Cc1nc(-c2cccc(Cl)c2)oc1O
InChIInChI=1S/C19H13ClN2O2/c1-11-15(14-7-2-3-8-16(14)21-11)10-17-19(23)24-18(22-17)12-5-4-6-13(20)9-12/h2-10,23H,1H3
InChIKeyGPPKJPFDHNIYLZ-UHFFFAOYSA-N
MW336.78 g/mol
LogP5.35
Rot. Bonds2

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

2-(3-chlorophenyl)-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol (PubChem CID 4574879) has the molecular formula C19H13ClN2O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
PubChem CID4574879
Molecular FormulaC19H13ClN2O2
Molecular Weight336.78 g/mol
Exact Mass336.07
IUPAC Name2-(3-chlorophenyl)-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
SMILESCC1=Nc2ccccc2C1=Cc1nc(-c2cccc(Cl)c2)oc1O
InChIInChI=1S/C19H13ClN2O2/c1-11-15(14-7-2-3-8-16(14)21-11)10-17-19(23)24-18(22-17)12-5-4-6-13(20)9-12/h2-10,23H,1H3
InChIKeyGPPKJPFDHNIYLZ-UHFFFAOYSA-N
XLogP5.35
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.78
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-(1,3-benzodioxol-5-yl)-4-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
CID 135608091
4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
CID 135420907
4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol
CID 135608090
4-[(E)-(2,5-dimethylindol-3-ylidene)methyl]-2-(furan-2-yl)-1,3-oxazol-5-ol
CID 135401716
5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde
CID 102261451
1-(3-chlorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 1318597
1-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 814567
1-[[5-hydroxy-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 2826502
N-(3-chlorophenyl)-2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide
CID 135642532
2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one
CID 4159377
4-[(3-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571302

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-(3-chlorophenyl)-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol (CID 4574879) is 2-(3-chlorophenyl)-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-(3-chlorophenyl)-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol is CC1=Nc2ccccc2C1=Cc1nc(-c2cccc(Cl)c2)oc1O.
What is the InChIKey of 2-(3-chlorophenyl)-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol?
The InChIKey is GPPKJPFDHNIYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2/c1-11-15(14-7-2-3-8-16(14)21-11)10-17-19(23)24-18(22-17)12-5-4-6-13(20)9-12/h2-10,23H,1H3.
What are the key properties of 2-(3-chlorophenyl)-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol?
2-(3-chlorophenyl)-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol has a molecular weight of 336.78 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 4574879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).