N-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide

C17H20FN3O3 — CID 97012062

IUPACN-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1noc(CC[C@@H]2CCCOC2)n1
InChIInChI=1S/C17H20FN3O3/c18-14-6-3-12(4-7-14)10-19-17(22)16-20-15(24-21-16)8-5-13-2-1-9-23-11-13/h3-4,6-7,13H,1-2,5,8-11H2,(H,19,22)/t13-/m0/s1
InChIKeyJAKUHBIVACLRTJ-ZDUSSCGKSA-N
MW333.36 g/mol
LogP2.50
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide

N-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 97012062) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID97012062
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1noc(CC[C@@H]2CCCOC2)n1
InChIInChI=1S/C17H20FN3O3/c18-14-6-3-12(4-7-14)10-19-17(22)16-20-15(24-21-16)8-5-13-2-1-9-23-11-13/h3-4,6-7,13H,1-2,5,8-11H2,(H,19,22)/t13-/m0/s1
InChIKeyJAKUHBIVACLRTJ-ZDUSSCGKSA-N
XLogP2.50
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 75463986
1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide
CID 125434821
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 126429340
5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 127266585
1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea
CID 125159828
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 38152467
4-[2-[6-[(4-fluorophenyl)methylcarbamoyl]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid
CID 68924197
N-[(4-fluorophenyl)methyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017286
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 16616471
3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216870
4-[[3-(oxolan-3-yl)propanoylamino]methyl]benzoic acid
CID 119353374

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide (CID 97012062) is N-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide is O=C(NCc1ccc(F)cc1)c1noc(CC[C@@H]2CCCOC2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is JAKUHBIVACLRTJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20FN3O3/c18-14-6-3-12(4-7-14)10-19-17(22)16-20-15(24-21-16)8-5-13-2-1-9-23-11-13/h3-4,6-7,13H,1-2,5,8-11H2,(H,19,22)/t13-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 97012062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).