(2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine

C26H26N2O — CID 141296003

IUPAC(2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1CNC[C@H](C)c1ccccc1
InChIInChI=1S/C26H26N2O/c1-19(21-9-5-3-6-10-21)17-27-18-25-20(2)28-29-26(25)24-15-13-23(14-16-24)22-11-7-4-8-12-22/h3-16,19,27H,17-18H2,1-2H3/t19-/m0/s1
InChIKeyPTUKLFPWTGEBDV-IBGZPJMESA-N
MW382.51 g/mol
LogP6.21
Rot. Bonds7

About (2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine

(2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine (PubChem CID 141296003) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is (2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound Name(2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine
PubChem CID141296003
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name(2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1CNC[C@H](C)c1ccccc1
InChIInChI=1S/C26H26N2O/c1-19(21-9-5-3-6-10-21)17-27-18-25-20(2)28-29-26(25)24-15-13-23(14-16-24)22-11-7-4-8-12-22/h3-16,19,27H,17-18H2,1-2H3/t19-/m0/s1
InChIKeyPTUKLFPWTGEBDV-IBGZPJMESA-N
XLogP6.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[4-[4-[3-methyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66577468
(2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine
CID 129433141
N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine
CID 66578224
3-methyl-4-[(E)-4-phenylpent-1-enyl]-5-(4-phenylphenyl)-1,2-oxazole
CID 141296022
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylpropan-1-amine
CID 113224953
2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide
CID 141296063
1-[2-[4-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66578397
4-benzyl-3-methyl-5-phenyl-1,2-oxazole
CID 14978502
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
1-[4-[4-[3-methyl-4-(2-phenylpropoxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51352396
N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
CID 43079999
1-[4-[4-[3-methyl-4-(1-phenylethoxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66582078

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine?
The IUPAC name of (2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine (CID 141296003) is (2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for (2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine?
The canonical SMILES for (2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine is Cc1noc(-c2ccc(-c3ccccc3)cc2)c1CNC[C@H](C)c1ccccc1.
What is the InChIKey of (2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine?
The InChIKey is PTUKLFPWTGEBDV-IBGZPJMESA-N. The full InChI is InChI=1S/C26H26N2O/c1-19(21-9-5-3-6-10-21)17-27-18-25-20(2)28-29-26(25)24-15-13-23(14-16-24)22-11-7-4-8-12-22/h3-16,19,27H,17-18H2,1-2H3/t19-/m0/s1.
What are the key properties of (2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine?
(2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine has a molecular weight of 382.51 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 141296003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).