N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

C19H21N3O3S2 — CID 24790776

IUPACN-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1OCc1cc(C(=O)N(C)C(C)c2nc(C)cs2)no1
InChIInChI=1S/C19H21N3O3S2/c1-12-11-27-18(20-12)13(2)22(3)19(23)15-9-14(25-21-15)10-24-16-7-5-6-8-17(16)26-4/h5-9,11,13H,10H2,1-4H3
InChIKeyUQDLNYZBZOTOEN-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.57
Rot. Bonds7

About N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24790776) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID24790776
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC NameN-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1OCc1cc(C(=O)N(C)C(C)c2nc(C)cs2)no1
InChIInChI=1S/C19H21N3O3S2/c1-12-11-27-18(20-12)13(2)22(3)19(23)15-9-14(25-21-15)10-24-16-7-5-6-8-17(16)26-4/h5-9,11,13H,10H2,1-4H3
InChIKeyUQDLNYZBZOTOEN-UHFFFAOYSA-N
XLogP4.57
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 24790776) is N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is CSc1ccccc1OCc1cc(C(=O)N(C)C(C)c2nc(C)cs2)no1.
What is the InChIKey of N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is UQDLNYZBZOTOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-12-11-27-18(20-12)13(2)22(3)19(23)15-9-14(25-21-15)10-24-16-7-5-6-8-17(16)26-4/h5-9,11,13H,10H2,1-4H3.
What are the key properties of N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24790776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).