(2R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)propan-2-amine

C17H15ClFN3O — CID 11638525

IUPAC(2R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)propan-2-amine
SMILESN[C@@H](Cc1nc(-c2cccc(Cl)c2)no1)Cc1ccccc1F
InChIInChI=1S/C17H15ClFN3O/c18-13-6-3-5-12(8-13)17-21-16(23-22-17)10-14(20)9-11-4-1-2-7-15(11)19/h1-8,14H,9-10,20H2/t14-/m1/s1
InChIKeyMRXUTWBTPWKQAY-CQSZACIVSA-N
MW331.78 g/mol
LogP3.64
Rot. Bonds5

About (2R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)propan-2-amine

(2R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)propan-2-amine (PubChem CID 11638525) has the molecular formula C17H15ClFN3O and a molecular weight of 331.78 g/mol. Its IUPAC name is (2R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)propan-2-amine
PubChem CID11638525
Molecular FormulaC17H15ClFN3O
Molecular Weight331.78 g/mol
Exact Mass331.09
IUPAC Name(2R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)propan-2-amine
SMILESN[C@@H](Cc1nc(-c2cccc(Cl)c2)no1)Cc1ccccc1F
InChIInChI=1S/C17H15ClFN3O/c18-13-6-3-5-12(8-13)17-21-16(23-22-17)10-14(20)9-11-4-1-2-7-15(11)19/h1-8,14H,9-10,20H2/t14-/m1/s1
InChIKeyMRXUTWBTPWKQAY-CQSZACIVSA-N
XLogP3.64
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)propan-2-amine?
The IUPAC name of (2R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)propan-2-amine (CID 11638525) is (2R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for (2R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)propan-2-amine is N[C@@H](Cc1nc(-c2cccc(Cl)c2)no1)Cc1ccccc1F.
What is the InChIKey of (2R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)propan-2-amine?
The InChIKey is MRXUTWBTPWKQAY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H15ClFN3O/c18-13-6-3-5-12(8-13)17-21-16(23-22-17)10-14(20)9-11-4-1-2-7-15(11)19/h1-8,14H,9-10,20H2/t14-/m1/s1.
What are the key properties of (2R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)propan-2-amine?
(2R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)propan-2-amine has a molecular weight of 331.78 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 11638525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).