methyl 2-[[pentyl(2-phenylethenylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate

C19H24N2O5S — CID 3637650

IUPACmethyl 2-[[pentyl(2-phenylethenylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCCCN(Cc1nc(C(=O)OC)co1)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C19H24N2O5S/c1-3-4-8-12-21(14-18-20-17(15-26-18)19(22)25-2)27(23,24)13-11-16-9-6-5-7-10-16/h5-7,9-11,13,15H,3-4,8,12,14H2,1-2H3
InChIKeyURGLJWMVEZAMGY-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.45
Rot. Bonds10

About methyl 2-[[pentyl(2-phenylethenylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[pentyl(2-phenylethenylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 3637650) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is methyl 2-[[pentyl(2-phenylethenylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[pentyl(2-phenylethenylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID3637650
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Namemethyl 2-[[pentyl(2-phenylethenylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCCCN(Cc1nc(C(=O)OC)co1)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C19H24N2O5S/c1-3-4-8-12-21(14-18-20-17(15-26-18)19(22)25-2)27(23,24)13-11-16-9-6-5-7-10-16/h5-7,9-11,13,15H,3-4,8,12,14H2,1-2H3
InChIKeyURGLJWMVEZAMGY-UHFFFAOYSA-N
XLogP3.45
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[(4-acetamidophenyl)sulfonyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate
CID 3637655
methyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4004369
methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3417684
methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766681
methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 811008
N-butyl-2-[[butyl-[(E)-2-phenylethenyl]sulfonylamino]methyl]-1,3-thiazole-4-carboxamide
CID 6083418
methyl 2-[[3-methylbutyl(methylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766958
methyl 2-[[(4-hexylbenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4006125
methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3670767
methyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4237865
methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 7356750
methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3434185

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[pentyl(2-phenylethenylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[pentyl(2-phenylethenylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate (CID 3637650) is methyl 2-[[pentyl(2-phenylethenylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[pentyl(2-phenylethenylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[pentyl(2-phenylethenylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate is CCCCCN(Cc1nc(C(=O)OC)co1)S(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of methyl 2-[[pentyl(2-phenylethenylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is URGLJWMVEZAMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-3-4-8-12-21(14-18-20-17(15-26-18)19(22)25-2)27(23,24)13-11-16-9-6-5-7-10-16/h5-7,9-11,13,15H,3-4,8,12,14H2,1-2H3.
What are the key properties of methyl 2-[[pentyl(2-phenylethenylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[pentyl(2-phenylethenylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 392.48 g/mol, XLogP of 3.45, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[pentyl(2-phenylethenylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 3637650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).