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

C12H15N3O5S — CID 47035216

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
SMILESCc1cc(CS(=O)(=O)CCC(=O)Nc2cc(C)on2)no1
InChIInChI=1S/C12H15N3O5S/c1-8-5-10(14-19-8)7-21(17,18)4-3-12(16)13-11-6-9(2)20-15-11/h5-6H,3-4,7H2,1-2H3,(H,13,15,16)
InChIKeyJQAXGUPHCKSMQQ-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.22
Rot. Bonds6

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

N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide (PubChem CID 47035216) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
PubChem CID47035216
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
SMILESCc1cc(CS(=O)(=O)CCC(=O)Nc2cc(C)on2)no1
InChIInChI=1S/C12H15N3O5S/c1-8-5-10(14-19-8)7-21(17,18)4-3-12(16)13-11-6-9(2)20-15-11/h5-6H,3-4,7H2,1-2H3,(H,13,15,16)
InChIKeyJQAXGUPHCKSMQQ-UHFFFAOYSA-N
XLogP1.22
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110343455
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2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
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6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
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N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)sulfonylpropanamide
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N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
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2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
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3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17225907
3-(2-amino-1,3-thiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110330212
2-(butylsulfonylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
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N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide (CID 47035216) is N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide is Cc1cc(CS(=O)(=O)CCC(=O)Nc2cc(C)on2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide?
The InChIKey is JQAXGUPHCKSMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-8-5-10(14-19-8)7-21(17,18)4-3-12(16)13-11-6-9(2)20-15-11/h5-6H,3-4,7H2,1-2H3,(H,13,15,16).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide has a molecular weight of 313.34 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide is sourced from PubChem (CID 47035216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).