5-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzoxazole

C16H13ClN4OS — CID 2999547

IUPAC5-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzoxazole
SMILESCc1cc(C)n2cc(CSc3nc4cc(Cl)ccc4o3)nc2n1
InChIInChI=1S/C16H13ClN4OS/c1-9-5-10(2)21-7-12(19-15(21)18-9)8-23-16-20-13-6-11(17)3-4-14(13)22-16/h3-7H,8H2,1-2H3
InChIKeyJURSTRIOGZWMTL-UHFFFAOYSA-N
MW344.83 g/mol
LogP4.43
Rot. Bonds3

About 5-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzoxazole

5-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzoxazole (PubChem CID 2999547) has the molecular formula C16H13ClN4OS and a molecular weight of 344.83 g/mol. Its IUPAC name is 5-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzoxazole
PubChem CID2999547
Molecular FormulaC16H13ClN4OS
Molecular Weight344.83 g/mol
Exact Mass344.05
IUPAC Name5-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzoxazole
SMILESCc1cc(C)n2cc(CSc3nc4cc(Cl)ccc4o3)nc2n1
InChIInChI=1S/C16H13ClN4OS/c1-9-5-10(2)21-7-12(19-15(21)18-9)8-23-16-20-13-6-11(17)3-4-14(13)22-16/h3-7H,8H2,1-2H3
InChIKeyJURSTRIOGZWMTL-UHFFFAOYSA-N
XLogP4.43
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-((Imidazo[1,2-a]pyridin-2-ylmethyl)thio)benzo[d]oxazole
CID 716574
2-[(5-Chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole
CID 2133717
MAT-POS-e10a589d-1
CID 7756566
2-(((6-Chloroimidazo[1,2-a]pyridin-2-yl)methyl)thio)benzo[d]oxazole
CID 658360
2-[(3-Methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole
CID 658403
6-{[(5-chloro-1,3-benzoxazol-2-yl)thio]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 847858
2-(((3-Chloroimidazo[1,2-a]pyridin-2-yl)methyl)thio)benzo[d]oxazole
CID 914513
Sdccgsbi-0660766.P001
CID 1181730
2-[(3-Bromo-5,7-dimethyl-2-imidazo[1,2-a]pyrimidinyl)methylthio]-1,3-benzoxazole
CID 3241783
2-{[(5-Methylimidazo[1,2-a]pyridin-2-yl)methyl]sulfanyl}-1,3-benzoxazole
CID 15945744
2-(3-Chlorophenyl)-4-[(2-{[(2-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-C]pyridin-3-YL)methyl]-5-methyl-1,3-oxazole
CID 16011846
4-[(2-{[(3-chlorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 16011849

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzoxazole (CID 2999547) is 5-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzoxazole is Cc1cc(C)n2cc(CSc3nc4cc(Cl)ccc4o3)nc2n1.
What is the InChIKey of 5-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzoxazole?
The InChIKey is JURSTRIOGZWMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS/c1-9-5-10(2)21-7-12(19-15(21)18-9)8-23-16-20-13-6-11(17)3-4-14(13)22-16/h3-7H,8H2,1-2H3.
What are the key properties of 5-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzoxazole?
5-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzoxazole has a molecular weight of 344.83 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 2999547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).