N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide

C23H16FN3O4 — CID 92711135

IUPACN-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H16FN3O4/c24-17-9-5-4-8-16(17)20(23-27-26-22(31-23)14-6-2-1-3-7-14)25-21(28)15-10-11-18-19(12-15)30-13-29-18/h1-12,20H,13H2,(H,25,28)/t20-/m1/s1
InChIKeyITGUFZAWGCSAFF-HXUWFJFHSA-N
MW417.40 g/mol
LogP4.12
Rot. Bonds5

About N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide

N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 92711135) has the molecular formula C23H16FN3O4 and a molecular weight of 417.40 g/mol. Its IUPAC name is N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID92711135
Molecular FormulaC23H16FN3O4
Molecular Weight417.40 g/mol
Exact Mass417.11
IUPAC NameN-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H16FN3O4/c24-17-9-5-4-8-16(17)20(23-27-26-22(31-23)14-6-2-1-3-7-14)25-21(28)15-10-11-18-19(12-15)30-13-29-18/h1-12,20H,13H2,(H,25,28)/t20-/m1/s1
InChIKeyITGUFZAWGCSAFF-HXUWFJFHSA-N
XLogP4.12
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

3-fluoro-N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92711123
3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 20960250
5-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 22434124
5-chloro-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92700778
5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92700770
N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92711110
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 92880072
3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 92711128
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 20960141
3,4-difluoro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 20944491
4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 46377580
4-fluoro-N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 92700688

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 92711135) is N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide is O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1F)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is ITGUFZAWGCSAFF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H16FN3O4/c24-17-9-5-4-8-16(17)20(23-27-26-22(31-23)14-6-2-1-3-7-14)25-21(28)15-10-11-18-19(12-15)30-13-29-18/h1-12,20H,13H2,(H,25,28)/t20-/m1/s1.
What are the key properties of N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 417.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 92711135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).