2-[5-(4-chloro-5-methylthiophen-2-yl)-3-pyridinyl]-1,3-oxazole

C13H9ClN2OS — CID 123428946

IUPAC2-[5-(4-chloro-5-methylthiophen-2-yl)-3-pyridinyl]-1,3-oxazole
SMILESCc1sc(-c2cncc(-c3ncco3)c2)cc1Cl
InChIInChI=1S/C13H9ClN2OS/c1-8-11(14)5-12(18-8)9-4-10(7-15-6-9)13-16-2-3-17-13/h2-7H,1H3
InChIKeyXSPLRWKUXMVBCS-UHFFFAOYSA-N
MW276.75 g/mol
LogP4.43
Rot. Bonds2

About 2-[5-(4-chloro-5-methylthiophen-2-yl)-3-pyridinyl]-1,3-oxazole

2-[5-(4-chloro-5-methylthiophen-2-yl)-3-pyridinyl]-1,3-oxazole (PubChem CID 123428946) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 2-[5-(4-chloro-5-methylthiophen-2-yl)-3-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[5-(4-chloro-5-methylthiophen-2-yl)-3-pyridinyl]-1,3-oxazole
PubChem CID123428946
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name2-[5-(4-chloro-5-methylthiophen-2-yl)-3-pyridinyl]-1,3-oxazole
SMILESCc1sc(-c2cncc(-c3ncco3)c2)cc1Cl
InChIInChI=1S/C13H9ClN2OS/c1-8-11(14)5-12(18-8)9-4-10(7-15-6-9)13-16-2-3-17-13/h2-7H,1H3
InChIKeyXSPLRWKUXMVBCS-UHFFFAOYSA-N
XLogP4.43
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-(1,3-oxazol-2-yl)pyridin-3-amine
CID 130254153
4-(4-chloro-5-methylthiophen-2-yl)-2-thiophen-3-ylpyridine
CID 144539021
2-(4-chloro-5-methylthiophen-2-yl)pyridine
CID 174439446
2-chloro-4-(1,3-oxazol-2-yl)phenol
CID 137195866
2-[5-[10-[5-(1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole;2-[5-[10-[5-(1,3-thiazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-thiazole
CID 158643567
5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]pyridine-2-carboxamide
CID 69286750
3-chloro-5-(5-chloro-3-pyridinyl)thiophen-2-amine
CID 91093923
2-[5-[10-[5-(1,3-oxazol-2-yl)-3-pyridinyl]-2-(2-phenylphenyl)anthracen-9-yl]-3-pyridinyl]-1,3-oxazole
CID 121297738
3-(4-chloro-5-ethylthiophen-2-yl)-5-prop-1-ynylpyridine
CID 118527666
2-(6-methyl-3-pyridinyl)-1,3-oxazole;1,3-oxazole
CID 158764360
5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine
CID 117326354
2-(2,6-dideuteriophenyl)-1,3-oxazole
CID 122401309

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-5-methylthiophen-2-yl)-3-pyridinyl]-1,3-oxazole?
The IUPAC name of 2-[5-(4-chloro-5-methylthiophen-2-yl)-3-pyridinyl]-1,3-oxazole (CID 123428946) is 2-[5-(4-chloro-5-methylthiophen-2-yl)-3-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 2-[5-(4-chloro-5-methylthiophen-2-yl)-3-pyridinyl]-1,3-oxazole?
The canonical SMILES for 2-[5-(4-chloro-5-methylthiophen-2-yl)-3-pyridinyl]-1,3-oxazole is Cc1sc(-c2cncc(-c3ncco3)c2)cc1Cl.
What is the InChIKey of 2-[5-(4-chloro-5-methylthiophen-2-yl)-3-pyridinyl]-1,3-oxazole?
The InChIKey is XSPLRWKUXMVBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-8-11(14)5-12(18-8)9-4-10(7-15-6-9)13-16-2-3-17-13/h2-7H,1H3.
What are the key properties of 2-[5-(4-chloro-5-methylthiophen-2-yl)-3-pyridinyl]-1,3-oxazole?
2-[5-(4-chloro-5-methylthiophen-2-yl)-3-pyridinyl]-1,3-oxazole has a molecular weight of 276.75 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chloro-5-methylthiophen-2-yl)-3-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 123428946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).