N-benzyl-2-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-amine

C16H15ClN2O — CID 101213991

IUPACN-benzyl-2-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-amine
SMILESClc1ccccc1C1=NC(NCc2ccccc2)CO1
InChIInChI=1S/C16H15ClN2O/c17-14-9-5-4-8-13(14)16-19-15(11-20-16)18-10-12-6-2-1-3-7-12/h1-9,15,18H,10-11H2
InChIKeyKQTGLHGWFLFKGE-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.23
Rot. Bonds4

About N-benzyl-2-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-amine

N-benzyl-2-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-amine (PubChem CID 101213991) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is N-benzyl-2-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-amine
PubChem CID101213991
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC NameN-benzyl-2-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-amine
SMILESClc1ccccc1C1=NC(NCc2ccccc2)CO1
InChIInChI=1S/C16H15ClN2O/c17-14-9-5-4-8-13(14)16-19-15(11-20-16)18-10-12-6-2-1-3-7-12/h1-9,15,18H,10-11H2
InChIKeyKQTGLHGWFLFKGE-UHFFFAOYSA-N
XLogP3.23
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline
CID 102499049
N-butyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-amine
CID 101213990
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-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane
CID 141438666
(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
(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
(4S)-4-ethyl-2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101098684
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-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3,5-dimethylphenyl)methyl]aniline
CID 102499053
N-benzyl-2-oxaspiro[3.3]heptan-7-amine
CID 171819307

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-amine?
The IUPAC name of N-benzyl-2-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-amine (CID 101213991) is N-benzyl-2-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-amine.
What is the SMILES notation for N-benzyl-2-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-amine?
The canonical SMILES for N-benzyl-2-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-amine is Clc1ccccc1C1=NC(NCc2ccccc2)CO1.
What is the InChIKey of N-benzyl-2-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-amine?
The InChIKey is KQTGLHGWFLFKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-14-9-5-4-8-13(14)16-19-15(11-20-16)18-10-12-6-2-1-3-7-12/h1-9,15,18H,10-11H2.
What are the key properties of N-benzyl-2-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-amine?
N-benzyl-2-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-amine has a molecular weight of 286.76 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-amine is sourced from PubChem (CID 101213991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).