2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole

C14H11ClN2OS — CID 67547390

IUPAC2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole
SMILESCCc1nc(-c2ccc(Cl)s2)oc1-c1cccnc1
InChIInChI=1S/C14H11ClN2OS/c1-2-10-13(9-4-3-7-16-8-9)18-14(17-10)11-5-6-12(15)19-11/h3-8H,2H2,1H3
InChIKeyTVAYIPCAUYEORR-UHFFFAOYSA-N
MW290.78 g/mol
LogP4.68
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole

2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole (PubChem CID 67547390) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole
PubChem CID67547390
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole
SMILESCCc1nc(-c2ccc(Cl)s2)oc1-c1cccnc1
InChIInChI=1S/C14H11ClN2OS/c1-2-10-13(9-4-3-7-16-8-9)18-14(17-10)11-5-6-12(15)19-11/h3-8H,2H2,1H3
InChIKeyTVAYIPCAUYEORR-UHFFFAOYSA-N
XLogP4.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole (CID 67547390) is 2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole is CCc1nc(-c2ccc(Cl)s2)oc1-c1cccnc1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole?
The InChIKey is TVAYIPCAUYEORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-2-10-13(9-4-3-7-16-8-9)18-14(17-10)11-5-6-12(15)19-11/h3-8H,2H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole?
2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole has a molecular weight of 290.78 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole is sourced from PubChem (CID 67547390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).