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

C19H19ClN4O4 — CID 24790170

IUPAC5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NC(C)Cc3cnccn3)no2)c(Cl)c1
InChIInChI=1S/C19H19ClN4O4/c1-12(7-13-10-21-5-6-22-13)23-19(25)17-9-15(28-24-17)11-27-18-4-3-14(26-2)8-16(18)20/h3-6,8-10,12H,7,11H2,1-2H3,(H,23,25)
InChIKeyKINVSUQCCJWDMJ-UHFFFAOYSA-N
MW402.84 g/mol
LogP3.07
Rot. Bonds8

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

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 24790170) has the molecular formula C19H19ClN4O4 and a molecular weight of 402.84 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID24790170
Molecular FormulaC19H19ClN4O4
Molecular Weight402.84 g/mol
Exact Mass402.11
IUPAC Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NC(C)Cc3cnccn3)no2)c(Cl)c1
InChIInChI=1S/C19H19ClN4O4/c1-12(7-13-10-21-5-6-22-13)23-19(25)17-9-15(28-24-17)11-27-18-4-3-14(26-2)8-16(18)20/h3-6,8-10,12H,7,11H2,1-2H3,(H,23,25)
InChIKeyKINVSUQCCJWDMJ-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-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide (CID 24790170) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide is COc1ccc(OCc2cc(C(=O)NC(C)Cc3cnccn3)no2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is KINVSUQCCJWDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4/c1-12(7-13-10-21-5-6-22-13)23-19(25)17-9-15(28-24-17)11-27-18-4-3-14(26-2)8-16(18)20/h3-6,8-10,12H,7,11H2,1-2H3,(H,23,25).
What are the key properties of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide?
5-[(2-chloro-4-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-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24790170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).