N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide

C11H21N3O3S — CID 114181064

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C11H21N3O3S/c1-4-5-12-6-7-18(15,16)13-8-11-14-9(2)10(3)17-11/h12-13H,4-8H2,1-3H3
InChIKeyLOBXUHGVWRLHHS-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.71
Rot. Bonds8

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide (PubChem CID 114181064) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide
PubChem CID114181064
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C11H21N3O3S/c1-4-5-12-6-7-18(15,16)13-8-11-14-9(2)10(3)17-11/h12-13H,4-8H2,1-3H3
InChIKeyLOBXUHGVWRLHHS-UHFFFAOYSA-N
XLogP0.71
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.71
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

1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea
CID 47360467
(2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,4-thiazinane 1,1-dioxide
CID 164641614
Butan-2-yl-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]-oxidosulfanium
CID 175955286
1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine
CID 84766259
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine
CID 106372525
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropropan-1-amine
CID 106372613
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106372988
N-[[(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide
CID 137876917
(4,5-Dimethyl-1,3-oxazol-2-yl)methanesulfonyl fluoride
CID 165653143
2-(Dimethyl-1,3-oxazol-2-yl)ethane-1-sulfonyl fluoride
CID 165762228
3-[(2,5-Dimethyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine
CID 20567782
1-[(Dimethyl-1,3-oxazol-2-yl)methyl]piperazine
CID 50987625

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide (CID 114181064) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide is CCCNCCS(=O)(=O)NCc1nc(C)c(C)o1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide?
The InChIKey is LOBXUHGVWRLHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-4-5-12-6-7-18(15,16)13-8-11-14-9(2)10(3)17-11/h12-13H,4-8H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide is sourced from PubChem (CID 114181064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).