3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole

C15H8Cl2N2OS — CID 137178226

IUPAC3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole
SMILESClc1cc(-c2cc(-c3c[nH]c4ccccc34)on2)c(Cl)s1
InChIInChI=1S/C15H8Cl2N2OS/c16-14-5-9(15(17)21-14)12-6-13(20-19-12)10-7-18-11-4-2-1-3-8(10)11/h1-7,18H
InChIKeyNJDPLYDAOFFVSQ-UHFFFAOYSA-N
MW335.22 g/mol
LogP5.86
Rot. Bonds2

About 3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole

3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole (PubChem CID 137178226) has the molecular formula C15H8Cl2N2OS and a molecular weight of 335.22 g/mol. Its IUPAC name is 3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole
PubChem CID137178226
Molecular FormulaC15H8Cl2N2OS
Molecular Weight335.22 g/mol
Exact Mass333.97
IUPAC Name3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole
SMILESClc1cc(-c2cc(-c3c[nH]c4ccccc34)on2)c(Cl)s1
InChIInChI=1S/C15H8Cl2N2OS/c16-14-5-9(15(17)21-14)12-6-13(20-19-12)10-7-18-11-4-2-1-3-8(10)11/h1-7,18H
InChIKeyNJDPLYDAOFFVSQ-UHFFFAOYSA-N
XLogP5.86
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.22
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one
CID 137178283
3-(1H-indol-3-yl)-1,2-oxazole-5-carbonitrile
CID 137166423
N-[(E)-butan-2-ylideneamino]-5-(1H-indol-3-yl)-1,2-oxazole-3-carboxamide
CID 135646944
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
3-(3-chloro-1H-indol-4-yl)-1,2-oxazol-5-amine
CID 117339578
4-(1H-indol-3-yl)-1,3-oxazole
CID 45276627
5-(1H-indol-3-yl)furan-2-carbaldehyde
CID 21084536
5,7-dichloro-3-(1H-indol-3-yl)-1H-indole
CID 10518361
2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole
CID 135876288
2-(1H-indol-3-yl)-1,3-thiazole-4-thiol
CID 116889652
3-(4-chloro-1H-pyrazol-5-yl)-1H-indole
CID 145022790
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole?
The IUPAC name of 3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole (CID 137178226) is 3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole.
What is the SMILES notation for 3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole?
The canonical SMILES for 3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole is Clc1cc(-c2cc(-c3c[nH]c4ccccc34)on2)c(Cl)s1.
What is the InChIKey of 3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole?
The InChIKey is NJDPLYDAOFFVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2OS/c16-14-5-9(15(17)21-14)12-6-13(20-19-12)10-7-18-11-4-2-1-3-8(10)11/h1-7,18H.
What are the key properties of 3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole?
3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole has a molecular weight of 335.22 g/mol, XLogP of 5.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole is sourced from PubChem (CID 137178226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).