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

C18H20N4O3S — CID 42529929

IUPACN-[(1-ethylimidazol-2-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCCn1ccnc1CNC(=O)c1cc(COc2ccccc2SC)on1
InChIInChI=1S/C18H20N4O3S/c1-3-22-9-8-19-17(22)11-20-18(23)14-10-13(25-21-14)12-24-15-6-4-5-7-16(15)26-2/h4-10H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyOSJNBGGJEXGGDX-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.12
Rot. Bonds8

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

N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 42529929) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID42529929
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCCn1ccnc1CNC(=O)c1cc(COc2ccccc2SC)on1
InChIInChI=1S/C18H20N4O3S/c1-3-22-9-8-19-17(22)11-20-18(23)14-10-13(25-21-14)12-24-15-6-4-5-7-16(15)26-2/h4-10H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyOSJNBGGJEXGGDX-UHFFFAOYSA-N
XLogP3.12
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 42529929) is N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide is CCn1ccnc1CNC(=O)c1cc(COc2ccccc2SC)on1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OSJNBGGJEXGGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-3-22-9-8-19-17(22)11-20-18(23)14-10-13(25-21-14)12-24-15-6-4-5-7-16(15)26-2/h4-10H,3,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42529929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).