N-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide

C11H13N3O3S — CID 117421444

IUPACN-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cccc(-c2cc(N)no2)c1)S(C)(=O)=O
InChIInChI=1S/C11H13N3O3S/c1-14(18(2,15)16)9-5-3-4-8(6-9)10-7-11(12)13-17-10/h3-7H,1-2H3,(H2,12,13)
InChIKeyMACNPPUKLIOSPN-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.32
Rot. Bonds3

About N-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide

N-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide (PubChem CID 117421444) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide
PubChem CID117421444
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cccc(-c2cc(N)no2)c1)S(C)(=O)=O
InChIInChI=1S/C11H13N3O3S/c1-14(18(2,15)16)9-5-3-4-8(6-9)10-7-11(12)13-17-10/h3-7H,1-2H3,(H2,12,13)
InChIKeyMACNPPUKLIOSPN-UHFFFAOYSA-N
XLogP1.32
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide (CID 117421444) is N-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide is CN(c1cccc(-c2cc(N)no2)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is MACNPPUKLIOSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-14(18(2,15)16)9-5-3-4-8(6-9)10-7-11(12)13-17-10/h3-7H,1-2H3,(H2,12,13).
What are the key properties of N-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide?
N-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 117421444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).