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

C22H17F2N3O — CID 92707818

IUPAC(1R)-1-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESFc1ccc(CN[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1
InChIInChI=1S/C22H17F2N3O/c23-17-12-10-15(11-13-17)14-25-20(18-8-4-5-9-19(18)24)22-27-26-21(28-22)16-6-2-1-3-7-16/h1-13,20,25H,14H2/t20-/m1/s1
InChIKeyKKOJGZRWSVQLFS-HXUWFJFHSA-N
MW377.39 g/mol
LogP4.89
Rot. Bonds6

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

(1R)-1-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 92707818) has the molecular formula C22H17F2N3O and a molecular weight of 377.39 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID92707818
Molecular FormulaC22H17F2N3O
Molecular Weight377.39 g/mol
Exact Mass377.13
IUPAC Name(1R)-1-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESFc1ccc(CN[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1
InChIInChI=1S/C22H17F2N3O/c23-17-12-10-15(11-13-17)14-25-20(18-8-4-5-9-19(18)24)22-27-26-21(28-22)16-6-2-1-3-7-16/h1-13,20,25H,14H2/t20-/m1/s1
InChIKeyKKOJGZRWSVQLFS-HXUWFJFHSA-N
XLogP4.89
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 92700688
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methylphenyl)ethanamine
CID 92707841
N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide
CID 92711176
N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide
CID 20960283
4-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 20944456
2-(4-chlorophenyl)-N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 92707754
3,4-difluoro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 20944491
1-(4-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 20944414
(1S)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 92707787
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 92711179
N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 92711180
3-fluoro-N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92711123

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of (1R)-1-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine (CID 92707818) is (1R)-1-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine is Fc1ccc(CN[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is KKOJGZRWSVQLFS-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H17F2N3O/c23-17-12-10-15(11-13-17)14-25-20(18-8-4-5-9-19(18)24)22-27-26-21(28-22)16-6-2-1-3-7-16/h1-13,20,25H,14H2/t20-/m1/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
(1R)-1-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 377.39 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 92707818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).