(2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide

C10H9ClN2O2S — CID 7963456

IUPAC(2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nc2ccc(Cl)cc2o1)C(N)=O
InChIInChI=1S/C10H9ClN2O2S/c1-5(9(12)14)16-10-13-7-3-2-6(11)4-8(7)15-10/h2-5H,1H3,(H2,12,14)/t5-/m1/s1
InChIKeyXEQHLLVUHYCQNO-RXMQYKEDSA-N
MW256.71 g/mol
LogP2.45
Rot. Bonds3

About (2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide

(2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide (PubChem CID 7963456) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is (2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide
PubChem CID7963456
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name(2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nc2ccc(Cl)cc2o1)C(N)=O
InChIInChI=1S/C10H9ClN2O2S/c1-5(9(12)14)16-10-13-7-3-2-6(11)4-8(7)15-10/h2-5H,1H3,(H2,12,14)/t5-/m1/s1
InChIKeyXEQHLLVUHYCQNO-RXMQYKEDSA-N
XLogP2.45
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 8883807
(2S)-N-(benzylcarbamoyl)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide
CID 8883931
6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole
CID 100668430
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 95306501
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 7963348
5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole
CID 11310720
(2R)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 94193863
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid
CID 1132680
(2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9441676
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 7963499

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide (CID 7963456) is (2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide is C[C@@H](Sc1nc2ccc(Cl)cc2o1)C(N)=O.
What is the InChIKey of (2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide?
The InChIKey is XEQHLLVUHYCQNO-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-5(9(12)14)16-10-13-7-3-2-6(11)4-8(7)15-10/h2-5H,1H3,(H2,12,14)/t5-/m1/s1.
What are the key properties of (2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide?
(2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide has a molecular weight of 256.71 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 7963456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).