N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide

C16H22N2O4S — CID 75474791

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide
SMILESCCCOc1ccc(N(Cc2c(C)noc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H22N2O4S/c1-5-10-21-15-8-6-14(7-9-15)18(23(4,19)20)11-16-12(2)17-22-13(16)3/h6-9H,5,10-11H2,1-4H3
InChIKeyXMTLLHGDEDRXOO-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.05
Rot. Bonds7

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide (PubChem CID 75474791) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide
PubChem CID75474791
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide
SMILESCCCOc1ccc(N(Cc2c(C)noc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H22N2O4S/c1-5-10-21-15-8-6-14(7-9-15)18(23(4,19)20)11-16-12(2)17-22-13(16)3/h6-9H,5,10-11H2,1-4H3
InChIKeyXMTLLHGDEDRXOO-UHFFFAOYSA-N
XLogP3.05
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 18079652
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87016607
2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
CID 78790279
4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propoxy]benzonitrile
CID 60500512
N-[1-(4-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 43901368
[5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 82371295
N-(2-methyl-6-propan-2-ylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30270265
N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30276609
N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30258326
N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30257599
N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30262204
N-[1-(4-methylsulfonylphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 43901779

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide (CID 75474791) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide is CCCOc1ccc(N(Cc2c(C)noc2C)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide?
The InChIKey is XMTLLHGDEDRXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-5-10-21-15-8-6-14(7-9-15)18(23(4,19)20)11-16-12(2)17-22-13(16)3/h6-9H,5,10-11H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide is sourced from PubChem (CID 75474791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).