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

C20H20ClN3O4 — CID 24816691

IUPAC5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NC(C)Cc3cccnc3)no2)c(Cl)c1
InChIInChI=1S/C20H20ClN3O4/c1-13(8-14-4-3-7-22-11-14)23-20(25)18-10-16(28-24-18)12-27-19-6-5-15(26-2)9-17(19)21/h3-7,9-11,13H,8,12H2,1-2H3,(H,23,25)
InChIKeyBDXOFNBCGDBFTQ-UHFFFAOYSA-N
MW401.85 g/mol
LogP3.67
Rot. Bonds8

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

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 24816691) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID24816691
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NC(C)Cc3cccnc3)no2)c(Cl)c1
InChIInChI=1S/C20H20ClN3O4/c1-13(8-14-4-3-7-22-11-14)23-20(25)18-10-16(28-24-18)12-27-19-6-5-15(26-2)9-17(19)21/h3-7,9-11,13H,8,12H2,1-2H3,(H,23,25)
InChIKeyBDXOFNBCGDBFTQ-UHFFFAOYSA-N
XLogP3.67
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide (CID 24816691) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide is COc1ccc(OCc2cc(C(=O)NC(C)Cc3cccnc3)no2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is BDXOFNBCGDBFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-13(8-14-4-3-7-22-11-14)23-20(25)18-10-16(28-24-18)12-27-19-6-5-15(26-2)9-17(19)21/h3-7,9-11,13H,8,12H2,1-2H3,(H,23,25).
What are the key properties of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide?
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24816691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).