N-(3-cyclopentylpropyl)-5-[(2,4-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide

C20H24F2N2O3 — CID 24790726

IUPACN-(3-cyclopentylpropyl)-5-[(2,4-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(CCCC1CCCC1)C(=O)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C20H24F2N2O3/c1-24(10-4-7-14-5-2-3-6-14)20(25)18-12-16(27-23-18)13-26-19-9-8-15(21)11-17(19)22/h8-9,11-12,14H,2-7,10,13H2,1H3
InChIKeyHKIJOXXCFDEUTL-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.57
Rot. Bonds8

About N-(3-cyclopentylpropyl)-5-[(2,4-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide

N-(3-cyclopentylpropyl)-5-[(2,4-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 24790726) has the molecular formula C20H24F2N2O3 and a molecular weight of 378.42 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-5-[(2,4-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-5-[(2,4-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID24790726
Molecular FormulaC20H24F2N2O3
Molecular Weight378.42 g/mol
Exact Mass378.18
IUPAC NameN-(3-cyclopentylpropyl)-5-[(2,4-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(CCCC1CCCC1)C(=O)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C20H24F2N2O3/c1-24(10-4-7-14-5-2-3-6-14)20(25)18-12-16(27-23-18)13-26-19-9-8-15(21)11-17(19)22/h8-9,11-12,14H,2-7,10,13H2,1H3
InChIKeyHKIJOXXCFDEUTL-UHFFFAOYSA-N
XLogP4.57
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-5-[(2,4-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-5-[(2,4-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide (CID 24790726) is N-(3-cyclopentylpropyl)-5-[(2,4-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-5-[(2,4-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-5-[(2,4-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide is CN(CCCC1CCCC1)C(=O)c1cc(COc2ccc(F)cc2F)on1.
What is the InChIKey of N-(3-cyclopentylpropyl)-5-[(2,4-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is HKIJOXXCFDEUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3/c1-24(10-4-7-14-5-2-3-6-14)20(25)18-12-16(27-23-18)13-26-19-9-8-15(21)11-17(19)22/h8-9,11-12,14H,2-7,10,13H2,1H3.
What are the key properties of N-(3-cyclopentylpropyl)-5-[(2,4-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
N-(3-cyclopentylpropyl)-5-[(2,4-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 378.42 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-5-[(2,4-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24790726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).