N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C20H18N4O3S — CID 51316238

IUPACN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1C(NC(=O)c1cc(-c2cccs2)on1)c1nccn1C
InChIInChI=1S/C20H18N4O3S/c1-24-10-9-21-19(24)18(13-6-3-4-7-15(13)26-2)22-20(25)14-12-16(27-23-14)17-8-5-11-28-17/h3-12,18H,1-2H3,(H,22,25)
InChIKeyRPLTYACMJRQVFN-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.66
Rot. Bonds6

About N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 51316238) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID51316238
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1C(NC(=O)c1cc(-c2cccs2)on1)c1nccn1C
InChIInChI=1S/C20H18N4O3S/c1-24-10-9-21-19(24)18(13-6-3-4-7-15(13)26-2)22-20(25)14-12-16(27-23-14)17-8-5-11-28-17/h3-12,18H,1-2H3,(H,22,25)
InChIKeyRPLTYACMJRQVFN-UHFFFAOYSA-N
XLogP3.66
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 51316238) is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is COc1ccccc1C(NC(=O)c1cc(-c2cccs2)on1)c1nccn1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is RPLTYACMJRQVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-24-10-9-21-19(24)18(13-6-3-4-7-15(13)26-2)22-20(25)14-12-16(27-23-14)17-8-5-11-28-17/h3-12,18H,1-2H3,(H,22,25).
What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51316238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).