N-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanesulfonamide

C15H20N2O4S — CID 53051056

IUPACN-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanesulfonamide
SMILESCCOc1ccc(-c2nc(CN(C)S(C)(=O)=O)c(C)o2)cc1
InChIInChI=1S/C15H20N2O4S/c1-5-20-13-8-6-12(7-9-13)15-16-14(11(2)21-15)10-17(3)22(4,18)19/h6-9H,5,10H2,1-4H3
InChIKeyUIDCAQIRZKTLHC-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.44
Rot. Bonds6

About N-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanesulfonamide

N-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 53051056) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanesulfonamide
PubChem CID53051056
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanesulfonamide
SMILESCCOc1ccc(-c2nc(CN(C)S(C)(=O)=O)c(C)o2)cc1
InChIInChI=1S/C15H20N2O4S/c1-5-20-13-8-6-12(7-9-13)15-16-14(11(2)21-15)10-17(3)22(4,18)19/h6-9H,5,10H2,1-4H3
InChIKeyUIDCAQIRZKTLHC-UHFFFAOYSA-N
XLogP2.44
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 20955807
4-tert-butyl-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide
CID 53051089
1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955528
2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate
CID 22507101
1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide
CID 42095450
2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide
CID 4638993
1-cyclopentyl-3-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
CID 20955548
2-[2-(4-butoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate
CID 58979246
N-cyclopropyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 4174238
(4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 50762222
4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 14479955
2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 4638991

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanesulfonamide (CID 53051056) is N-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanesulfonamide is CCOc1ccc(-c2nc(CN(C)S(C)(=O)=O)c(C)o2)cc1.
What is the InChIKey of N-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is UIDCAQIRZKTLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-5-20-13-8-6-12(7-9-13)15-16-14(11(2)21-15)10-17(3)22(4,18)19/h6-9H,5,10H2,1-4H3.
What are the key properties of N-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanesulfonamide?
N-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 324.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 53051056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).