methyl 4-[(5-cyclopropyl-1,2-oxazol-4-yl)sulfamoyl]-3-methylbenzoate

C15H16N2O5S — CID 146092511

IUPACmethyl 4-[(5-cyclopropyl-1,2-oxazol-4-yl)sulfamoyl]-3-methylbenzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cnoc2C2CC2)c(C)c1
InChIInChI=1S/C15H16N2O5S/c1-9-7-11(15(18)21-2)5-6-13(9)23(19,20)17-12-8-16-22-14(12)10-3-4-10/h5-8,10,17H,3-4H2,1-2H3
InChIKeyULECQQZMNRVZSA-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.45
Rot. Bonds5

About methyl 4-[(5-cyclopropyl-1,2-oxazol-4-yl)sulfamoyl]-3-methylbenzoate

methyl 4-[(5-cyclopropyl-1,2-oxazol-4-yl)sulfamoyl]-3-methylbenzoate (PubChem CID 146092511) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is methyl 4-[(5-cyclopropyl-1,2-oxazol-4-yl)sulfamoyl]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[(5-cyclopropyl-1,2-oxazol-4-yl)sulfamoyl]-3-methylbenzoate
PubChem CID146092511
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Namemethyl 4-[(5-cyclopropyl-1,2-oxazol-4-yl)sulfamoyl]-3-methylbenzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cnoc2C2CC2)c(C)c1
InChIInChI=1S/C15H16N2O5S/c1-9-7-11(15(18)21-2)5-6-13(9)23(19,20)17-12-8-16-22-14(12)10-3-4-10/h5-8,10,17H,3-4H2,1-2H3
InChIKeyULECQQZMNRVZSA-UHFFFAOYSA-N
XLogP2.45
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoate
CID 155271672
methyl 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 7938266
methyl 4-methyl-3-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 35507391
dimethyl 2-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 29424922
methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride
CID 120585033
methyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate
CID 86780365
dimethyl 2-[(3,4-dimethylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26952290
methyl 3-methyl-4-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716326
dimethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26949768
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507966
methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate
CID 35540100

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-cyclopropyl-1,2-oxazol-4-yl)sulfamoyl]-3-methylbenzoate?
The IUPAC name of methyl 4-[(5-cyclopropyl-1,2-oxazol-4-yl)sulfamoyl]-3-methylbenzoate (CID 146092511) is methyl 4-[(5-cyclopropyl-1,2-oxazol-4-yl)sulfamoyl]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[(5-cyclopropyl-1,2-oxazol-4-yl)sulfamoyl]-3-methylbenzoate?
The canonical SMILES for methyl 4-[(5-cyclopropyl-1,2-oxazol-4-yl)sulfamoyl]-3-methylbenzoate is COC(=O)c1ccc(S(=O)(=O)Nc2cnoc2C2CC2)c(C)c1.
What is the InChIKey of methyl 4-[(5-cyclopropyl-1,2-oxazol-4-yl)sulfamoyl]-3-methylbenzoate?
The InChIKey is ULECQQZMNRVZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-9-7-11(15(18)21-2)5-6-13(9)23(19,20)17-12-8-16-22-14(12)10-3-4-10/h5-8,10,17H,3-4H2,1-2H3.
What are the key properties of methyl 4-[(5-cyclopropyl-1,2-oxazol-4-yl)sulfamoyl]-3-methylbenzoate?
methyl 4-[(5-cyclopropyl-1,2-oxazol-4-yl)sulfamoyl]-3-methylbenzoate has a molecular weight of 336.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-cyclopropyl-1,2-oxazol-4-yl)sulfamoyl]-3-methylbenzoate is sourced from PubChem (CID 146092511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).