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

C15H15N3O4S — CID 167778750

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)Cc2cc(-c3ccccc3)no2)o1
InChIInChI=1S/C15H15N3O4S/c1-11-8-16-15(21-11)9-17-23(19,20)10-13-7-14(18-22-13)12-5-3-2-4-6-12/h2-8,17H,9-10H2,1H3
InChIKeyLKUMNIKETAOSGS-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.26
Rot. Bonds6

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide (PubChem CID 167778750) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide
PubChem CID167778750
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)Cc2cc(-c3ccccc3)no2)o1
InChIInChI=1S/C15H15N3O4S/c1-11-8-16-15(21-11)9-17-23(19,20)10-13-7-14(18-22-13)12-5-3-2-4-6-12/h2-8,17H,9-10H2,1H3
InChIKeyLKUMNIKETAOSGS-UHFFFAOYSA-N
XLogP2.26
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide (CID 167778750) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide is Cc1cnc(CNS(=O)(=O)Cc2cc(-c3ccccc3)no2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide?
The InChIKey is LKUMNIKETAOSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-11-8-16-15(21-11)9-17-23(19,20)10-13-7-14(18-22-13)12-5-3-2-4-6-12/h2-8,17H,9-10H2,1H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide has a molecular weight of 333.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide is sourced from PubChem (CID 167778750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).