5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole

C10H10ClNOS — CID 11310720

IUPAC5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole
SMILESCC(C)Sc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C10H10ClNOS/c1-6(2)14-10-12-8-5-7(11)3-4-9(8)13-10/h3-6H,1-2H3
InChIKeyJUFWZZUKTBSZPV-UHFFFAOYSA-N
MW227.72 g/mol
LogP3.98
Rot. Bonds2

About 5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole

5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole (PubChem CID 11310720) has the molecular formula C10H10ClNOS and a molecular weight of 227.72 g/mol. Its IUPAC name is 5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole
PubChem CID11310720
Molecular FormulaC10H10ClNOS
Molecular Weight227.72 g/mol
Exact Mass227.02
IUPAC Name5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole
SMILESCC(C)Sc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C10H10ClNOS/c1-6(2)14-10-12-8-5-7(11)3-4-9(8)13-10/h3-6H,1-2H3
InChIKeyJUFWZZUKTBSZPV-UHFFFAOYSA-N
XLogP3.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 94193863
5-chloro-2-(1-chloroethyl)-1,3-benzoxazole
CID 43115623
5-chloro-2-phenylsulfanyl-1,3-benzoxazole
CID 102425567
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
5-chloro-2-(2-methylprop-2-enylsulfanyl)-1,3-benzoxazole
CID 47105865
(2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide
CID 7963456
N-(1,3-benzodioxol-5-yl)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide
CID 78760918
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)propanamide
CID 112779935
2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-chloro-1,3-benzoxazole
CID 2493472
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 95306094
(3R,5R)-3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-5-methyloxolan-2-one
CID 41104585
5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 827452

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole (CID 11310720) is 5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole is CC(C)Sc1nc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole?
The InChIKey is JUFWZZUKTBSZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS/c1-6(2)14-10-12-8-5-7(11)3-4-9(8)13-10/h3-6H,1-2H3.
What are the key properties of 5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole?
5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole has a molecular weight of 227.72 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole is sourced from PubChem (CID 11310720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).