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

C25H25N3O2 — CID 90895392

IUPAC(2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine
SMILESC[C@@H](C(Oc1ccccc1-c1nc(-c2ccccc2)no1)c1ccccc1)N(C)C
InChIInChI=1S/C25H25N3O2/c1-18(28(2)3)23(19-12-6-4-7-13-19)29-22-17-11-10-16-21(22)25-26-24(27-30-25)20-14-8-5-9-15-20/h4-18,23H,1-3H3/t18-,23?/m0/s1
InChIKeyCRQKEHDPMOHEFZ-XNUZUHMRSA-N
MW399.49 g/mol
LogP5.47
Rot. Bonds7

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

(2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine (PubChem CID 90895392) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine
PubChem CID90895392
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name(2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine
SMILESC[C@@H](C(Oc1ccccc1-c1nc(-c2ccccc2)no1)c1ccccc1)N(C)C
InChIInChI=1S/C25H25N3O2/c1-18(28(2)3)23(19-12-6-4-7-13-19)29-22-17-11-10-16-21(22)25-26-24(27-30-25)20-14-8-5-9-15-20/h4-18,23H,1-3H3/t18-,23?/m0/s1
InChIKeyCRQKEHDPMOHEFZ-XNUZUHMRSA-N
XLogP5.47
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine
CID 3038472
5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 15390901
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747339
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole
CID 70235898
4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol
CID 135704072
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole
CID 146297070
4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide
CID 136543120
2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 50746138
5-(3,4-dimethoxyphenyl)-3-[3-methoxy-4-(1-phenylethoxy)phenyl]-1,2,4-oxadiazole
CID 46044246
3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 2231572

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine?
The IUPAC name of (2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine (CID 90895392) is (2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine.
What is the SMILES notation for (2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine?
The canonical SMILES for (2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine is C[C@@H](C(Oc1ccccc1-c1nc(-c2ccccc2)no1)c1ccccc1)N(C)C.
What is the InChIKey of (2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine?
The InChIKey is CRQKEHDPMOHEFZ-XNUZUHMRSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-18(28(2)3)23(19-12-6-4-7-13-19)29-22-17-11-10-16-21(22)25-26-24(27-30-25)20-14-8-5-9-15-20/h4-18,23H,1-3H3/t18-,23?/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine?
(2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine has a molecular weight of 399.49 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine is sourced from PubChem (CID 90895392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).