(1R)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine

C19H21N3O2 — CID 129081084

IUPAC(1R)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
SMILESCOc1ccccc1Cc1noc([C@H](N)CCc2ccccc2)n1
InChIInChI=1S/C19H21N3O2/c1-23-17-10-6-5-9-15(17)13-18-21-19(24-22-18)16(20)12-11-14-7-3-2-4-8-14/h2-10,16H,11-13,20H2,1H3/t16-/m1/s1
InChIKeyYEALIOKDVAYQFZ-MRXNPFEDSA-N
MW323.40 g/mol
LogP3.30
Rot. Bonds7

About (1R)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine

(1R)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine (PubChem CID 129081084) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (1R)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
PubChem CID129081084
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(1R)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
SMILESCOc1ccccc1Cc1noc([C@H](N)CCc2ccccc2)n1
InChIInChI=1S/C19H21N3O2/c1-23-17-10-6-5-9-15(17)13-18-21-19(24-22-18)16(20)12-11-14-7-3-2-4-8-14/h2-10,16H,11-13,20H2,1H3/t16-/m1/s1
InChIKeyYEALIOKDVAYQFZ-MRXNPFEDSA-N
XLogP3.30
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The IUPAC name of (1R)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine (CID 129081084) is (1R)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine.
What is the SMILES notation for (1R)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The canonical SMILES for (1R)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine is COc1ccccc1Cc1noc([C@H](N)CCc2ccccc2)n1.
What is the InChIKey of (1R)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The InChIKey is YEALIOKDVAYQFZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-23-17-10-6-5-9-15(17)13-18-21-19(24-22-18)16(20)12-11-14-7-3-2-4-8-14/h2-10,16H,11-13,20H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
(1R)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine has a molecular weight of 323.40 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine is sourced from PubChem (CID 129081084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).