ethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane

C19H29NO4S — CID 158005543

IUPACethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane
SMILESC.CC.CCc1oc(C)nc1COc1cccc(CSCC(=O)O)c1
InChIInChI=1S/C16H19NO4S.C2H6.CH4/c1-3-15-14(17-11(2)21-15)8-20-13-6-4-5-12(7-13)9-22-10-16(18)19;1-2;/h4-7H,3,8-10H2,1-2H3,(H,18,19);1-2H3;1H4
InChIKeyFEGBZAZPYZVORR-UHFFFAOYSA-N
MW367.51 g/mol
LogP5.10
Rot. Bonds8

About ethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane

ethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane (PubChem CID 158005543) has the molecular formula C19H29NO4S and a molecular weight of 367.51 g/mol. Its IUPAC name is ethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane.

Molecular Properties

Compound Nameethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane
PubChem CID158005543
Molecular FormulaC19H29NO4S
Molecular Weight367.51 g/mol
Exact Mass367.18
IUPAC Nameethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane
SMILESC.CC.CCc1oc(C)nc1COc1cccc(CSCC(=O)O)c1
InChIInChI=1S/C16H19NO4S.C2H6.CH4/c1-3-15-14(17-11(2)21-15)8-20-13-6-4-5-12(7-13)9-22-10-16(18)19;1-2;/h4-7H,3,8-10H2,1-2H3,(H,18,19);1-2H3;1H4
InChIKeyFEGBZAZPYZVORR-UHFFFAOYSA-N
XLogP5.10
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.51
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane with MolForge

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Related Compounds

ethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid
CID 157375212
2-[[3-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methylsulfanyl]acetic acid
CID 22169888
2-[[3-[[5-(4-fluorophenyl)-2-methylfuran-3-yl]methoxy]phenyl]methylsulfanyl]acetic acid
CID 91412568
2-[[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]acetic acid
CID 90734431
methyl 2-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methylsulfanyl]acetate
CID 58859472
2-[3-chloro-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]phenyl]acetic acid
CID 68886942
2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980
methyl 2-[[3-[2-[5-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methylsulfanyl]acetate
CID 23552021
2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850457
4-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carboxylic acid
CID 82225632
2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 112685361
2-methyl-2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]propanoic acid
CID 22169941

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane?
The IUPAC name of ethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane (CID 158005543) is ethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane.
What is the SMILES notation for ethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane?
The canonical SMILES for ethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane is C.CC.CCc1oc(C)nc1COc1cccc(CSCC(=O)O)c1.
What is the InChIKey of ethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane?
The InChIKey is FEGBZAZPYZVORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S.C2H6.CH4/c1-3-15-14(17-11(2)21-15)8-20-13-6-4-5-12(7-13)9-22-10-16(18)19;1-2;/h4-7H,3,8-10H2,1-2H3,(H,18,19);1-2H3;1H4.
What are the key properties of ethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane?
ethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane has a molecular weight of 367.51 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]methylsulfanyl]acetic acid;methane is sourced from PubChem (CID 158005543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).