6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole

C11H10ClN5OS — CID 100668430

IUPAC6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole
SMILESC[C@@H](Sc1nc2ccc(Cl)cc2o1)c1nnnn1C
InChIInChI=1S/C11H10ClN5OS/c1-6(10-14-15-16-17(10)2)19-11-13-8-4-3-7(12)5-9(8)18-11/h3-6H,1-2H3/t6-/m1/s1
InChIKeyZVILPAKXFMQUPX-ZCFIWIBFSA-N
MW295.76 g/mol
LogP2.86
Rot. Bonds3

About 6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole

6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole (PubChem CID 100668430) has the molecular formula C11H10ClN5OS and a molecular weight of 295.76 g/mol. Its IUPAC name is 6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole
PubChem CID100668430
Molecular FormulaC11H10ClN5OS
Molecular Weight295.76 g/mol
Exact Mass295.03
IUPAC Name6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole
SMILESC[C@@H](Sc1nc2ccc(Cl)cc2o1)c1nnnn1C
InChIInChI=1S/C11H10ClN5OS/c1-6(10-14-15-16-17(10)2)19-11-13-8-4-3-7(12)5-9(8)18-11/h3-6H,1-2H3/t6-/m1/s1
InChIKeyZVILPAKXFMQUPX-ZCFIWIBFSA-N
XLogP2.86
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide
CID 7963456
2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole
CID 46435086
6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole
CID 55640401
5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole
CID 11310720
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 7963348
6-chloro-2-pentan-3-yl-1,3-benzoxazole
CID 175910194
(2S)-N-(tert-butylcarbamoyl)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide
CID 8883943
(2S)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2,5-difluorophenyl)propanamide
CID 8883729
5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
CID 171512130
6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole
CID 139379765
(2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 8883807
6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole
CID 9350477

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole (CID 100668430) is 6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole is C[C@@H](Sc1nc2ccc(Cl)cc2o1)c1nnnn1C.
What is the InChIKey of 6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole?
The InChIKey is ZVILPAKXFMQUPX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H10ClN5OS/c1-6(10-14-15-16-17(10)2)19-11-13-8-4-3-7(12)5-9(8)18-11/h3-6H,1-2H3/t6-/m1/s1.
What are the key properties of 6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole?
6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole has a molecular weight of 295.76 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole is sourced from PubChem (CID 100668430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).