3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide

C21H18FN3O3 — CID 138609161

IUPAC3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2ccc(-c3nc(C4CC4)no3)cc2)COC1
InChIInChI=1S/C21H18FN3O3/c22-16-7-9-17(10-8-16)23-20(26)21(11-27-12-21)15-5-3-14(4-6-15)19-24-18(25-28-19)13-1-2-13/h3-10,13H,1-2,11-12H2,(H,23,26)
InChIKeyDDEJKBAOMBWVMS-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.66
Rot. Bonds5

About 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide

3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide (PubChem CID 138609161) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
PubChem CID138609161
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2ccc(-c3nc(C4CC4)no3)cc2)COC1
InChIInChI=1S/C21H18FN3O3/c22-16-7-9-17(10-8-16)23-20(26)21(11-27-12-21)15-5-3-14(4-6-15)19-24-18(25-28-19)13-1-2-13/h3-10,13H,1-2,11-12H2,(H,23,26)
InChIKeyDDEJKBAOMBWVMS-UHFFFAOYSA-N
XLogP3.66
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-3-phenyloxetane-3-carboxamide
CID 154632266
2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53137270
3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609114
5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 141290235
N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide
CID 138609181
5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 139035121
3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609149
N-(4-fluorophenyl)-3-[4-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]phenyl]oxetane-3-carboxamide
CID 138609145
4-(4-fluorophenyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]oxane-4-carboxamide
CID 49422466
5-(4-fluorophenyl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 84696560
5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 77183129
3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609199

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The IUPAC name of 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide (CID 138609161) is 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The canonical SMILES for 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide is O=C(Nc1ccc(F)cc1)C1(c2ccc(-c3nc(C4CC4)no3)cc2)COC1.
What is the InChIKey of 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The InChIKey is DDEJKBAOMBWVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c22-16-7-9-17(10-8-16)23-20(26)21(11-27-12-21)15-5-3-14(4-6-15)19-24-18(25-28-19)13-1-2-13/h3-10,13H,1-2,11-12H2,(H,23,26).
What are the key properties of 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide is sourced from PubChem (CID 138609161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).