(2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide

C11H16N2O4S — CID 94091601

IUPAC(2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
SMILESCc1cc(CS(=O)(=O)[C@@H](C)C(=O)NC2CC2)no1
InChIInChI=1S/C11H16N2O4S/c1-7-5-10(13-17-7)6-18(15,16)8(2)11(14)12-9-3-4-9/h5,8-9H,3-4,6H2,1-2H3,(H,12,14)/t8-/m0/s1
InChIKeyJNWJPDJMNZLUIV-QMMMGPOBSA-N
MW272.33 g/mol
LogP0.56
Rot. Bonds5

About (2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide

(2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide (PubChem CID 94091601) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
PubChem CID94091601
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name(2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
SMILESCc1cc(CS(=O)(=O)[C@@H](C)C(=O)NC2CC2)no1
InChIInChI=1S/C11H16N2O4S/c1-7-5-10(13-17-7)6-18(15,16)8(2)11(14)12-9-3-4-9/h5,8-9H,3-4,6H2,1-2H3,(H,12,14)/t8-/m0/s1
InChIKeyJNWJPDJMNZLUIV-QMMMGPOBSA-N
XLogP0.56
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
CID 47035218
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one
CID 94828313
(2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide
CID 94087908
(2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide
CID 94087763
(2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide
CID 51947102
(2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid
CID 28788047
N-[(2R)-1-hydroxypropan-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 64722552
N-(2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43502409
(2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid
CID 28788093
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
CID 28787877
[2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate
CID 138523545
2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17408045

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide (CID 94091601) is (2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide is Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NC2CC2)no1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide?
The InChIKey is JNWJPDJMNZLUIV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7-5-10(13-17-7)6-18(15,16)8(2)11(14)12-9-3-4-9/h5,8-9H,3-4,6H2,1-2H3,(H,12,14)/t8-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide?
(2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide has a molecular weight of 272.33 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide is sourced from PubChem (CID 94091601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).