5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide

C19H19ClN4O4 — CID 24793955

IUPAC5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1cc(Cl)ccc1OCc1cc(C(=O)NC(C)Cc2cnccn2)no1
InChIInChI=1S/C19H19ClN4O4/c1-12(7-14-10-21-5-6-22-14)23-19(25)16-9-15(28-24-16)11-27-17-4-3-13(20)8-18(17)26-2/h3-6,8-10,12H,7,11H2,1-2H3,(H,23,25)
InChIKeyLWHYLDGXGQHVST-UHFFFAOYSA-N
MW402.84 g/mol
LogP3.07
Rot. Bonds8

About 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide

5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 24793955) has the molecular formula C19H19ClN4O4 and a molecular weight of 402.84 g/mol. Its IUPAC name is 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID24793955
Molecular FormulaC19H19ClN4O4
Molecular Weight402.84 g/mol
Exact Mass402.11
IUPAC Name5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1cc(Cl)ccc1OCc1cc(C(=O)NC(C)Cc2cnccn2)no1
InChIInChI=1S/C19H19ClN4O4/c1-12(7-14-10-21-5-6-22-14)23-19(25)16-9-15(28-24-16)11-27-17-4-3-13(20)8-18(17)26-2/h3-6,8-10,12H,7,11H2,1-2H3,(H,23,25)
InChIKeyLWHYLDGXGQHVST-UHFFFAOYSA-N
XLogP3.07
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide (CID 24793955) is 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide is COc1cc(Cl)ccc1OCc1cc(C(=O)NC(C)Cc2cnccn2)no1.
What is the InChIKey of 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is LWHYLDGXGQHVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4/c1-12(7-14-10-21-5-6-22-14)23-19(25)16-9-15(28-24-16)11-27-17-4-3-13(20)8-18(17)26-2/h3-6,8-10,12H,7,11H2,1-2H3,(H,23,25).
What are the key properties of 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide?
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 402.84 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24793955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).