N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide

C13H25N3O3S — CID 106378029

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NCc1ncc(CC)o1
InChIInChI=1S/C13H25N3O3S/c1-3-7-14-8-5-6-9-20(17,18)16-11-13-15-10-12(4-2)19-13/h10,14,16H,3-9,11H2,1-2H3
InChIKeyNMGUDGJUUWRSHT-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.44
Rot. Bonds11

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide (PubChem CID 106378029) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide
PubChem CID106378029
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NCc1ncc(CC)o1
InChIInChI=1S/C13H25N3O3S/c1-3-7-14-8-5-6-9-20(17,18)16-11-13-15-10-12(4-2)19-13/h10,14,16H,3-9,11H2,1-2H3
InChIKeyNMGUDGJUUWRSHT-UHFFFAOYSA-N
XLogP1.44
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.44
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-Ethyl-1,3-oxazol-2-yl)methanamine
CID 65180193
2-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 71857462
N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 71872540
N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 71872553
N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide
CID 71872556
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide
CID 71928346
2-[(5-Propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 72015278
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine
CID 72122768
3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide
CID 72122771
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
CID 71756633
N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179166
2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181973

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide (CID 106378029) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide is CCCNCCCCS(=O)(=O)NCc1ncc(CC)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide?
The InChIKey is NMGUDGJUUWRSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-3-7-14-8-5-6-9-20(17,18)16-11-13-15-10-12(4-2)19-13/h10,14,16H,3-9,11H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 1.44, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide is sourced from PubChem (CID 106378029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).