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

C19H17ClFN3O3 — CID 24790441

IUPAC5-[(2-chloro-4-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESCCC(NC(=O)c1cc(COc2ccc(F)cc2Cl)on1)c1ccncc1
InChIInChI=1S/C19H17ClFN3O3/c1-2-16(12-5-7-22-8-6-12)23-19(25)17-10-14(27-24-17)11-26-18-4-3-13(21)9-15(18)20/h3-10,16H,2,11H2,1H3,(H,23,25)
InChIKeyMMCBJAAYCOBBSB-UHFFFAOYSA-N
MW389.81 g/mol
LogP4.32
Rot. Bonds7

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

5-[(2-chloro-4-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 24790441) has the molecular formula C19H17ClFN3O3 and a molecular weight of 389.81 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID24790441
Molecular FormulaC19H17ClFN3O3
Molecular Weight389.81 g/mol
Exact Mass389.09
IUPAC Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESCCC(NC(=O)c1cc(COc2ccc(F)cc2Cl)on1)c1ccncc1
InChIInChI=1S/C19H17ClFN3O3/c1-2-16(12-5-7-22-8-6-12)23-19(25)17-10-14(27-24-17)11-26-18-4-3-13(21)9-15(18)20/h3-10,16H,2,11H2,1H3,(H,23,25)
InChIKeyMMCBJAAYCOBBSB-UHFFFAOYSA-N
XLogP4.32
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)-1,2-oxazole-3-carboxamide (CID 24790441) is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)-1,2-oxazole-3-carboxamide is CCC(NC(=O)c1cc(COc2ccc(F)cc2Cl)on1)c1ccncc1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MMCBJAAYCOBBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O3/c1-2-16(12-5-7-22-8-6-12)23-19(25)17-10-14(27-24-17)11-26-18-4-3-13(21)9-15(18)20/h3-10,16H,2,11H2,1H3,(H,23,25).
What are the key properties of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
5-[(2-chloro-4-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 389.81 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24790441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).