5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide

C20H20ClN3O5 — CID 24817544

IUPAC5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NCC(C)Oc3cccnc3)no2)c(Cl)c1
InChIInChI=1S/C20H20ClN3O5/c1-13(28-15-4-3-7-22-11-15)10-23-20(25)18-9-16(29-24-18)12-27-19-6-5-14(26-2)8-17(19)21/h3-9,11,13H,10,12H2,1-2H3,(H,23,25)
InChIKeyQTUIGICFLKDWDM-UHFFFAOYSA-N
MW417.85 g/mol
LogP3.51
Rot. Bonds9

About 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide (PubChem CID 24817544) has the molecular formula C20H20ClN3O5 and a molecular weight of 417.85 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide
PubChem CID24817544
Molecular FormulaC20H20ClN3O5
Molecular Weight417.85 g/mol
Exact Mass417.11
IUPAC Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NCC(C)Oc3cccnc3)no2)c(Cl)c1
InChIInChI=1S/C20H20ClN3O5/c1-13(28-15-4-3-7-22-11-15)10-23-20(25)18-9-16(29-24-18)12-27-19-6-5-14(26-2)8-17(19)21/h3-9,11,13H,10,12H2,1-2H3,(H,23,25)
InChIKeyQTUIGICFLKDWDM-UHFFFAOYSA-N
XLogP3.51
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 53.51
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-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide (CID 24817544) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide is COc1ccc(OCc2cc(C(=O)NCC(C)Oc3cccnc3)no2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QTUIGICFLKDWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O5/c1-13(28-15-4-3-7-22-11-15)10-23-20(25)18-9-16(29-24-18)12-27-19-6-5-14(26-2)8-17(19)21/h3-9,11,13H,10,12H2,1-2H3,(H,23,25).
What are the key properties of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide?
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 417.85 g/mol, XLogP of 3.51, 9 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-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24817544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).