N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline

C23H22N2O — CID 102499049

IUPACN-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline
SMILESc1ccc(CNc2ccccc2C2=N[C@@H](Cc3ccccc3)CO2)cc1
InChIInChI=1S/C23H22N2O/c1-3-9-18(10-4-1)15-20-17-26-23(25-20)21-13-7-8-14-22(21)24-16-19-11-5-2-6-12-19/h1-14,20,24H,15-17H2/t20-/m0/s1
InChIKeyUIXYFSSCSHEVRJ-FQEVSTJZSA-N
MW342.44 g/mol
LogP4.69
Rot. Bonds6

About N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline

N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline (PubChem CID 102499049) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline.

Molecular Properties

Compound NameN-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline
PubChem CID102499049
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC NameN-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline
SMILESc1ccc(CNc2ccccc2C2=N[C@@H](Cc3ccccc3)CO2)cc1
InChIInChI=1S/C23H22N2O/c1-3-9-18(10-4-1)15-20-17-26-23(25-20)21-13-7-8-14-22(21)24-16-19-11-5-2-6-12-19/h1-14,20,24H,15-17H2/t20-/m0/s1
InChIKeyUIXYFSSCSHEVRJ-FQEVSTJZSA-N
XLogP4.69
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3,5-dimethylphenyl)methyl]aniline
CID 102499053
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
CID 11049225
2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 136749627
(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
CID 697622
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
CID 10895469
[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane
CID 141438666
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenyl]aniline
CID 56930223
(4S)-4-benzyl-2-[2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole
CID 101496730
N-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-tert-butyl-1,2,4-triazin-3-amine
CID 102106032
4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole
CID 135070410
(4R)-4-benzyl-2-[6-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]dibenzofuran-4-yl]-4,5-dihydro-1,3-oxazole
CID 25139688
[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
CID 127256029

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline?
The IUPAC name of N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline (CID 102499049) is N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline.
What is the SMILES notation for N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline?
The canonical SMILES for N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline is c1ccc(CNc2ccccc2C2=N[C@@H](Cc3ccccc3)CO2)cc1.
What is the InChIKey of N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline?
The InChIKey is UIXYFSSCSHEVRJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H22N2O/c1-3-9-18(10-4-1)15-20-17-26-23(25-20)21-13-7-8-14-22(21)24-16-19-11-5-2-6-12-19/h1-14,20,24H,15-17H2/t20-/m0/s1.
What are the key properties of N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline?
N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline has a molecular weight of 342.44 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline is sourced from PubChem (CID 102499049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).