N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide

C10H19N3O3S — CID 106336432

IUPACN-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide
SMILESCc1nc(CNCCCNS(C)(=O)=O)oc1C
InChIInChI=1S/C10H19N3O3S/c1-8-9(2)16-10(13-8)7-11-5-4-6-12-17(3,14)15/h11-12H,4-7H2,1-3H3
InChIKeyYRERJMAXSBUEPV-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.32
Rot. Bonds7

About N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide

N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide (PubChem CID 106336432) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide
PubChem CID106336432
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide
SMILESCc1nc(CNCCCNS(C)(=O)=O)oc1C
InChIInChI=1S/C10H19N3O3S/c1-8-9(2)16-10(13-8)7-11-5-4-6-12-17(3,14)15/h11-12H,4-7H2,1-3H3
InChIKeyYRERJMAXSBUEPV-UHFFFAOYSA-N
XLogP0.32
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol
CID 106130930
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 60972938
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63964251
N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide
CID 56805603
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115518471
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 113327418
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine
CID 60972577
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide
CID 114181064
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide
CID 106377949
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 106372748
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetonitrile
CID 106372653
N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide
CID 106336342

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide (CID 106336432) is N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide is Cc1nc(CNCCCNS(C)(=O)=O)oc1C.
What is the InChIKey of N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide?
The InChIKey is YRERJMAXSBUEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-8-9(2)16-10(13-8)7-11-5-4-6-12-17(3,14)15/h11-12H,4-7H2,1-3H3.
What are the key properties of N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide?
N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 106336432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).