5-chloro-2-phenylsulfanyl-1,3-benzoxazole

C13H8ClNOS — CID 102425567

IUPAC5-chloro-2-phenylsulfanyl-1,3-benzoxazole
SMILESClc1ccc2oc(Sc3ccccc3)nc2c1
InChIInChI=1S/C13H8ClNOS/c14-9-6-7-12-11(8-9)15-13(16-12)17-10-4-2-1-3-5-10/h1-8H
InChIKeyVBTLUAMAKKDFLB-UHFFFAOYSA-N
MW261.73 g/mol
LogP4.63
Rot. Bonds2

About 5-chloro-2-phenylsulfanyl-1,3-benzoxazole

5-chloro-2-phenylsulfanyl-1,3-benzoxazole (PubChem CID 102425567) has the molecular formula C13H8ClNOS and a molecular weight of 261.73 g/mol. Its IUPAC name is 5-chloro-2-phenylsulfanyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-phenylsulfanyl-1,3-benzoxazole
PubChem CID102425567
Molecular FormulaC13H8ClNOS
Molecular Weight261.73 g/mol
Exact Mass261.00
IUPAC Name5-chloro-2-phenylsulfanyl-1,3-benzoxazole
SMILESClc1ccc2oc(Sc3ccccc3)nc2c1
InChIInChI=1S/C13H8ClNOS/c14-9-6-7-12-11(8-9)15-13(16-12)17-10-4-2-1-3-5-10/h1-8H
InChIKeyVBTLUAMAKKDFLB-UHFFFAOYSA-N
XLogP4.63
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole
CID 11310720
5-chloro-2-[(2-phenyl-1,3-dioxolan-2-yl)sulfanyl]-1,3-benzoxazole
CID 134065815
5-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-benzoxazole
CID 2408981
5-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1,3-benzoxazole
CID 2442900
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 2388695
5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole
CID 51208985
5-chloro-2-(2-methylprop-2-enylsulfanyl)-1,3-benzoxazole
CID 47105865
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)ethanone
CID 23768615
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
(R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol
CID 92965984
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 112779911
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 95306094

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenylsulfanyl-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-phenylsulfanyl-1,3-benzoxazole (CID 102425567) is 5-chloro-2-phenylsulfanyl-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-phenylsulfanyl-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-phenylsulfanyl-1,3-benzoxazole is Clc1ccc2oc(Sc3ccccc3)nc2c1.
What is the InChIKey of 5-chloro-2-phenylsulfanyl-1,3-benzoxazole?
The InChIKey is VBTLUAMAKKDFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNOS/c14-9-6-7-12-11(8-9)15-13(16-12)17-10-4-2-1-3-5-10/h1-8H.
What are the key properties of 5-chloro-2-phenylsulfanyl-1,3-benzoxazole?
5-chloro-2-phenylsulfanyl-1,3-benzoxazole has a molecular weight of 261.73 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-phenylsulfanyl-1,3-benzoxazole is sourced from PubChem (CID 102425567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).