(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide

C11H20N2O4S — CID 99799701

IUPAC(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide
SMILESCO[C@H](C)CS(=O)(=O)N(C)Cc1c(C)noc1C
InChIInChI=1S/C11H20N2O4S/c1-8(16-5)7-18(14,15)13(4)6-11-9(2)12-17-10(11)3/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyDDEYGOFDHUTYAN-MRVPVSSYSA-N
MW276.36 g/mol
LogP1.09
Rot. Bonds6

About (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide

(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide (PubChem CID 99799701) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide
PubChem CID99799701
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide
SMILESCO[C@H](C)CS(=O)(=O)N(C)Cc1c(C)noc1C
InChIInChI=1S/C11H20N2O4S/c1-8(16-5)7-18(14,15)13(4)6-11-9(2)12-17-10(11)3/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyDDEYGOFDHUTYAN-MRVPVSSYSA-N
XLogP1.09
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine
CID 82398747
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide
CID 91829294
2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 110870140
methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate
CID 47027463
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81088478
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide
CID 61164745
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfonyl-N-methylacetamide
CID 86827719
(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 94150545
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 75461028
(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 55938250
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82329705
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide
CID 86923030

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide?
The IUPAC name of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide (CID 99799701) is (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide.
What is the SMILES notation for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide?
The canonical SMILES for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide is CO[C@H](C)CS(=O)(=O)N(C)Cc1c(C)noc1C.
What is the InChIKey of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide?
The InChIKey is DDEYGOFDHUTYAN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-8(16-5)7-18(14,15)13(4)6-11-9(2)12-17-10(11)3/h8H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide?
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of 1.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 99799701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).