(2R)-1-[[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol

C34H35N3O3 — CID 2502593

IUPAC(2R)-1-[[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
SMILESCC(C)(c1ccccc1)c1ccc(OC[C@H](O)CN[C@@H](Cc2ccccc2)c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C34H35N3O3/c1-34(2,27-16-10-5-11-17-27)28-18-20-30(21-19-28)39-24-29(38)23-35-31(22-25-12-6-3-7-13-25)33-36-32(37-40-33)26-14-8-4-9-15-26/h3-21,29,31,35,38H,22-24H2,1-2H3/t29-,31+/m1/s1
InChIKeyUCDNHFUYZOANNS-VEEOACQBSA-N
MW533.67 g/mol
LogP6.38
Rot. Bonds12

About (2R)-1-[[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol

(2R)-1-[[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol (PubChem CID 2502593) has the molecular formula C34H35N3O3 and a molecular weight of 533.67 g/mol. Its IUPAC name is (2R)-1-[[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
PubChem CID2502593
Molecular FormulaC34H35N3O3
Molecular Weight533.67 g/mol
Exact Mass533.27
IUPAC Name(2R)-1-[[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
SMILESCC(C)(c1ccccc1)c1ccc(OC[C@H](O)CN[C@@H](Cc2ccccc2)c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C34H35N3O3/c1-34(2,27-16-10-5-11-17-27)28-18-20-30(21-19-28)39-24-29(38)23-35-31(22-25-12-6-3-7-13-25)33-36-32(37-40-33)26-14-8-4-9-15-26/h3-21,29,31,35,38H,22-24H2,1-2H3/t29-,31+/m1/s1
InChIKeyUCDNHFUYZOANNS-VEEOACQBSA-N
XLogP6.38
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.67
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

[3-[[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]amino]-2-hydroxypropyl] butanoate
CID 42839104
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
(2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 9159184
tert-butyl N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]carbamate
CID 74510096
(2S)-1-(hexylamino)-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 2089097
1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol
CID 71294649
1-(benzylamino)-3-(4-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 10405576
1-methylsulfanyl-3-[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]propan-2-ol
CID 156534471
1-(aminomethylamino)-3-[4-[2-[4-[3-(aminomethylamino)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 58779484
N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-4-(trifluoromethyl)benzamide
CID 93117435
(2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol
CID 51567729

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-[[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol (CID 2502593) is (2R)-1-[[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol is CC(C)(c1ccccc1)c1ccc(OC[C@H](O)CN[C@@H](Cc2ccccc2)c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of (2R)-1-[[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol?
The InChIKey is UCDNHFUYZOANNS-VEEOACQBSA-N. The full InChI is InChI=1S/C34H35N3O3/c1-34(2,27-16-10-5-11-17-27)28-18-20-30(21-19-28)39-24-29(38)23-35-31(22-25-12-6-3-7-13-25)33-36-32(37-40-33)26-14-8-4-9-15-26/h3-21,29,31,35,38H,22-24H2,1-2H3/t29-,31+/m1/s1.
What are the key properties of (2R)-1-[[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol?
(2R)-1-[[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol has a molecular weight of 533.67 g/mol, XLogP of 6.38, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 2502593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).