N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]methanesulfonamide

C14H18N2O3S — CID 51107399

IUPACN-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]methanesulfonamide
SMILESCN(CCCc1cc(-c2ccccc2)no1)S(C)(=O)=O
InChIInChI=1S/C14H18N2O3S/c1-16(20(2,17)18)10-6-9-13-11-14(15-19-13)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKeyJRFJYNOIHYUVDK-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.17
Rot. Bonds6

About N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]methanesulfonamide

N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]methanesulfonamide (PubChem CID 51107399) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]methanesulfonamide
PubChem CID51107399
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]methanesulfonamide
SMILESCN(CCCc1cc(-c2ccccc2)no1)S(C)(=O)=O
InChIInChI=1S/C14H18N2O3S/c1-16(20(2,17)18)10-6-9-13-11-14(15-19-13)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKeyJRFJYNOIHYUVDK-UHFFFAOYSA-N
XLogP2.17
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]methanesulfonamide (CID 51107399) is N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]methanesulfonamide is CN(CCCc1cc(-c2ccccc2)no1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]methanesulfonamide?
The InChIKey is JRFJYNOIHYUVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-16(20(2,17)18)10-6-9-13-11-14(15-19-13)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]methanesulfonamide?
N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]methanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]methanesulfonamide is sourced from PubChem (CID 51107399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).