methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate

C16H19FN2O6S — CID 3670767

IUPACmethyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOCCCN(Cc1nc(C(=O)OC)co1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O6S/c1-23-9-3-8-19(10-15-18-14(11-25-15)16(20)24-2)26(21,22)13-6-4-12(17)5-7-13/h4-7,11H,3,8-10H2,1-2H3
InChIKeyANUQTGHIMKAOMX-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.83
Rot. Bonds9

About methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 3670767) has the molecular formula C16H19FN2O6S and a molecular weight of 386.40 g/mol. Its IUPAC name is methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID3670767
Molecular FormulaC16H19FN2O6S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Namemethyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOCCCN(Cc1nc(C(=O)OC)co1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O6S/c1-23-9-3-8-19(10-15-18-14(11-25-15)16(20)24-2)26(21,22)13-6-4-12(17)5-7-13/h4-7,11H,3,8-10H2,1-2H3
InChIKeyANUQTGHIMKAOMX-UHFFFAOYSA-N
XLogP1.83
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42663746
methyl 2-[[3-methoxypropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]-1,3-oxazole-4-carboxylate
CID 3671123
methyl 2-[[(4-acetamidophenyl)sulfonyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate
CID 3637655
ethyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3997811
methyl 2-[[3-methoxypropyl-[4-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 3876938
methyl 2-[[(3,4-difluorophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4030458
methyl 2-[[furan-2-carbonyl(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 5039854
methyl 2-[[(4-ethylbenzoyl)-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4538081
methyl 2-[[3-methoxypropyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 4013634
methyl 2-[[3-methoxypropyl(naphthalene-1-carbonyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 5041718
methyl 2-[[3-methylbutyl(methylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766958
methyl 2-[[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4997781

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate (CID 3670767) is methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate is COCCCN(Cc1nc(C(=O)OC)co1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is ANUQTGHIMKAOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O6S/c1-23-9-3-8-19(10-15-18-14(11-25-15)16(20)24-2)26(21,22)13-6-4-12(17)5-7-13/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 386.40 g/mol, XLogP of 1.83, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 3670767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).