N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide

C19H20N2O4S — CID 95211220

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1OCc1cc(C(=O)N(C)[C@H](C)c2ccco2)no1
InChIInChI=1S/C19H20N2O4S/c1-13(16-8-6-10-23-16)21(2)19(22)15-11-14(25-20-15)12-24-17-7-4-5-9-18(17)26-3/h4-11,13H,12H2,1-3H3/t13-/m1/s1
InChIKeyYHOFJRCCMFYZBA-CYBMUJFWSA-N
MW372.45 g/mol
LogP4.40
Rot. Bonds7

About N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide

N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 95211220) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID95211220
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1OCc1cc(C(=O)N(C)[C@H](C)c2ccco2)no1
InChIInChI=1S/C19H20N2O4S/c1-13(16-8-6-10-23-16)21(2)19(22)15-11-14(25-20-15)12-24-17-7-4-5-9-18(17)26-3/h4-11,13H,12H2,1-3H3/t13-/m1/s1
InChIKeyYHOFJRCCMFYZBA-CYBMUJFWSA-N
XLogP4.40
TPSA68.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide
CID 95221527
N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 42595324
5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63649744
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 63647898
5-[(4-methoxynaphthalen-1-yl)oxymethyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45241731
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 24791966
N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 42529929
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42190643
[(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 25379228
5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56715383
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 45205519
4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide
CID 97029759

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 95211220) is N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide is CSc1ccccc1OCc1cc(C(=O)N(C)[C@H](C)c2ccco2)no1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YHOFJRCCMFYZBA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-13(16-8-6-10-23-16)21(2)19(22)15-11-14(25-20-15)12-24-17-7-4-5-9-18(17)26-3/h4-11,13H,12H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95211220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).