(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide

C13H16N2O2S — CID 26733168

IUPAC(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)Sc1nc2ccccc2o1
InChIInChI=1S/C13H16N2O2S/c1-3-8-14-12(16)9(2)18-13-15-10-6-4-5-7-11(10)17-13/h4-7,9H,3,8H2,1-2H3,(H,14,16)/t9-/m1/s1
InChIKeyQWFYXNMSQHTHEV-SECBINFHSA-N
MW264.35 g/mol
LogP2.83
Rot. Bonds5

About (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide

(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide (PubChem CID 26733168) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide
PubChem CID26733168
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)Sc1nc2ccccc2o1
InChIInChI=1S/C13H16N2O2S/c1-3-8-14-12(16)9(2)18-13-15-10-6-4-5-7-11(10)17-13/h4-7,9H,3,8H2,1-2H3,(H,14,16)/t9-/m1/s1
InChIKeyQWFYXNMSQHTHEV-SECBINFHSA-N
XLogP2.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpropanamide
CID 9414816
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid
CID 1132680
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide
CID 7464840
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 23886481
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 51233925
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-iodophenyl)propanamide
CID 23914569
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide
CID 18075869
(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 7756270
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
CID 71684783
(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-cyanophenyl)propanamide
CID 7464873
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,4-difluorophenyl)propanamide
CID 46619454
N-propyl-2-quinolin-2-ylsulfanylpropanamide
CID 51233888

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide?
The IUPAC name of (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide (CID 26733168) is (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide.
What is the SMILES notation for (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide?
The canonical SMILES for (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide is CCCNC(=O)[C@@H](C)Sc1nc2ccccc2o1.
What is the InChIKey of (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide?
The InChIKey is QWFYXNMSQHTHEV-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-8-14-12(16)9(2)18-13-15-10-6-4-5-7-11(10)17-13/h4-7,9H,3,8H2,1-2H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide?
(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide has a molecular weight of 264.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide is sourced from PubChem (CID 26733168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).