(2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine

C18H19N3O2 — CID 95131861

IUPAC(2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
SMILESC[C@@H](COc1ccccc1)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H19N3O2/c1-14(13-22-16-10-6-3-7-11-16)19-12-17-20-21-18(23-17)15-8-4-2-5-9-15/h2-11,14,19H,12-13H2,1H3/t14-/m0/s1
InChIKeyABCZSQALJJNXQQ-AWEZNQCLSA-N
MW309.37 g/mol
LogP3.29
Rot. Bonds7

About (2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine

(2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine (PubChem CID 95131861) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
PubChem CID95131861
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
SMILESC[C@@H](COc1ccccc1)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H19N3O2/c1-14(13-22-16-10-6-3-7-11-16)19-12-17-20-21-18(23-17)15-8-4-2-5-9-15/h2-11,14,19H,12-13H2,1H3/t14-/m0/s1
InChIKeyABCZSQALJJNXQQ-AWEZNQCLSA-N
XLogP3.29
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 94362537
2-(2-phenoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 110656027
(1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 9334600
(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
CID 94160198
(2R)-1-phenoxy-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 95147172
N-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62919697
(2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95351926
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138740
1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653660
2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine
CID 78818492
2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 62131084
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of (2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine (CID 95131861) is (2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for (2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine is C[C@@H](COc1ccccc1)NCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine?
The InChIKey is ABCZSQALJJNXQQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-14(13-22-16-10-6-3-7-11-16)19-12-17-20-21-18(23-17)15-8-4-2-5-9-15/h2-11,14,19H,12-13H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine?
(2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine has a molecular weight of 309.37 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 95131861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).