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

C11H16N2O4S — CID 47207681

IUPACN-(cyclopropylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide
SMILESCc1cc(CS(=O)(=O)CC(=O)NCC2CC2)no1
InChIInChI=1S/C11H16N2O4S/c1-8-4-10(13-17-8)6-18(15,16)7-11(14)12-5-9-2-3-9/h4,9H,2-3,5-7H2,1H3,(H,12,14)
InChIKeyKZDFKONELORFRE-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.42
Rot. Bonds6

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

N-(cyclopropylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide (PubChem CID 47207681) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide
PubChem CID47207681
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC NameN-(cyclopropylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide
SMILESCc1cc(CS(=O)(=O)CC(=O)NCC2CC2)no1
InChIInChI=1S/C11H16N2O4S/c1-8-4-10(13-17-8)6-18(15,16)7-11(14)12-5-9-2-3-9/h4,9H,2-3,5-7H2,1H3,(H,12,14)
InChIKeyKZDFKONELORFRE-UHFFFAOYSA-N
XLogP0.42
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 94025583
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
CID 47035216
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine
CID 80552473
N-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 115633596
methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate
CID 43624220
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
CID 28787877
(2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
CID 94091601
N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971
N-(cyclopropylmethyl)-2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131641559
(2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
CID 95599700
N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 75404996
4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79529652

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide (CID 47207681) is N-(cyclopropylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide is Cc1cc(CS(=O)(=O)CC(=O)NCC2CC2)no1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide?
The InChIKey is KZDFKONELORFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8-4-10(13-17-8)6-18(15,16)7-11(14)12-5-9-2-3-9/h4,9H,2-3,5-7H2,1H3,(H,12,14).
What are the key properties of N-(cyclopropylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide?
N-(cyclopropylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide has a molecular weight of 272.33 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide is sourced from PubChem (CID 47207681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).