1-(5-methyl-1,2-oxazol-3-yl)-N-[(2S)-2-morpholin-4-ylpropyl]methanesulfonamide

C12H21N3O4S — CID 97212104

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-N-[(2S)-2-morpholin-4-ylpropyl]methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NC[C@H](C)N2CCOCC2)no1
InChIInChI=1S/C12H21N3O4S/c1-10(15-3-5-18-6-4-15)8-13-20(16,17)9-12-7-11(2)19-14-12/h7,10,13H,3-6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyUHJDYHVARBOAIM-JTQLQIEISA-N
MW303.38 g/mol
LogP0.12
Rot. Bonds6

About 1-(5-methyl-1,2-oxazol-3-yl)-N-[(2S)-2-morpholin-4-ylpropyl]methanesulfonamide

1-(5-methyl-1,2-oxazol-3-yl)-N-[(2S)-2-morpholin-4-ylpropyl]methanesulfonamide (PubChem CID 97212104) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-N-[(2S)-2-morpholin-4-ylpropyl]methanesulfonamide.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-N-[(2S)-2-morpholin-4-ylpropyl]methanesulfonamide
PubChem CID97212104
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-N-[(2S)-2-morpholin-4-ylpropyl]methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NC[C@H](C)N2CCOCC2)no1
InChIInChI=1S/C12H21N3O4S/c1-10(15-3-5-18-6-4-15)8-13-20(16,17)9-12-7-11(2)19-14-12/h7,10,13H,3-6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyUHJDYHVARBOAIM-JTQLQIEISA-N
XLogP0.12
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 72137970
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 71979583
N-[(2S)-heptan-2-yl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 95781612
1-(3-methyl-1,2-oxazol-5-yl)-N-(oxetan-3-yl)-N-propan-2-ylmethanesulfonamide
CID 128580876
(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-sulfonamide
CID 164638988
1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride
CID 120778633
1-(3-methyl-1,2-oxazol-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide
CID 120778634
3-Methyl-5-[[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 127414060
1-(3-methyl-1,2-oxazol-5-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanesulfonamide
CID 127623650
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine-4-sulfonamide
CID 40161424
N-(2-{1-[(5-methylisoxazol-3-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}ethyl)cyclopropanesulfonamide
CID 50971753
4-[(3-Methyl-1,2-oxazol-5-yl)methylsulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 72137942

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-N-[(2S)-2-morpholin-4-ylpropyl]methanesulfonamide?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-N-[(2S)-2-morpholin-4-ylpropyl]methanesulfonamide (CID 97212104) is 1-(5-methyl-1,2-oxazol-3-yl)-N-[(2S)-2-morpholin-4-ylpropyl]methanesulfonamide.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-N-[(2S)-2-morpholin-4-ylpropyl]methanesulfonamide?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-N-[(2S)-2-morpholin-4-ylpropyl]methanesulfonamide is Cc1cc(CS(=O)(=O)NC[C@H](C)N2CCOCC2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-N-[(2S)-2-morpholin-4-ylpropyl]methanesulfonamide?
The InChIKey is UHJDYHVARBOAIM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-10(15-3-5-18-6-4-15)8-13-20(16,17)9-12-7-11(2)19-14-12/h7,10,13H,3-6,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-N-[(2S)-2-morpholin-4-ylpropyl]methanesulfonamide?
1-(5-methyl-1,2-oxazol-3-yl)-N-[(2S)-2-morpholin-4-ylpropyl]methanesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-N-[(2S)-2-morpholin-4-ylpropyl]methanesulfonamide is sourced from PubChem (CID 97212104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).