N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide

C15H19N3O4S — CID 110370442

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide
SMILESCc1cc(NC(=O)CCNS(=O)(=O)CCc2ccccc2)no1
InChIInChI=1S/C15H19N3O4S/c1-12-11-14(18-22-12)17-15(19)7-9-16-23(20,21)10-8-13-5-3-2-4-6-13/h2-6,11,16H,7-10H2,1H3,(H,17,18,19)
InChIKeyYEFRTCHWXBWFRR-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.47
Rot. Bonds8

About N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide (PubChem CID 110370442) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide
PubChem CID110370442
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide
SMILESCc1cc(NC(=O)CCNS(=O)(=O)CCc2ccccc2)no1
InChIInChI=1S/C15H19N3O4S/c1-12-11-14(18-22-12)17-15(19)7-9-16-23(20,21)10-8-13-5-3-2-4-6-13/h2-6,11,16H,7-10H2,1H3,(H,17,18,19)
InChIKeyYEFRTCHWXBWFRR-UHFFFAOYSA-N
XLogP1.47
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17225907
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide
CID 110370453
2-[2-(2-fluorophenyl)ethylsulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110619310
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-phenoxyacetyl)amino]propanamide
CID 110370363
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
CID 112507057
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370450
N-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide
CID 109061114
3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 54905585
N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110865452
2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 43465797

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide (CID 110370442) is N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide is Cc1cc(NC(=O)CCNS(=O)(=O)CCc2ccccc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide?
The InChIKey is YEFRTCHWXBWFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-12-11-14(18-22-12)17-15(19)7-9-16-23(20,21)10-8-13-5-3-2-4-6-13/h2-6,11,16H,7-10H2,1H3,(H,17,18,19).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide has a molecular weight of 337.40 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide is sourced from PubChem (CID 110370442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).