2-benzyl-5-(2-phenylethyl)-3-propan-2-yl-3H-1,2-oxazole

C21H25NO — CID 102461682

IUPAC2-benzyl-5-(2-phenylethyl)-3-propan-2-yl-3H-1,2-oxazole
SMILESCC(C)C1C=C(CCc2ccccc2)ON1Cc1ccccc1
InChIInChI=1S/C21H25NO/c1-17(2)21-15-20(14-13-18-9-5-3-6-10-18)23-22(21)16-19-11-7-4-8-12-19/h3-12,15,17,21H,13-14,16H2,1-2H3
InChIKeyIPJBYIUWJYRMGK-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.98
Rot. Bonds6

About 2-benzyl-5-(2-phenylethyl)-3-propan-2-yl-3H-1,2-oxazole

2-benzyl-5-(2-phenylethyl)-3-propan-2-yl-3H-1,2-oxazole (PubChem CID 102461682) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-benzyl-5-(2-phenylethyl)-3-propan-2-yl-3H-1,2-oxazole.

Molecular Properties

Compound Name2-benzyl-5-(2-phenylethyl)-3-propan-2-yl-3H-1,2-oxazole
PubChem CID102461682
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name2-benzyl-5-(2-phenylethyl)-3-propan-2-yl-3H-1,2-oxazole
SMILESCC(C)C1C=C(CCc2ccccc2)ON1Cc1ccccc1
InChIInChI=1S/C21H25NO/c1-17(2)21-15-20(14-13-18-9-5-3-6-10-18)23-22(21)16-19-11-7-4-8-12-19/h3-12,15,17,21H,13-14,16H2,1-2H3
InChIKeyIPJBYIUWJYRMGK-UHFFFAOYSA-N
XLogP4.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-Butyl-N-(2-methyl-1-phenylpropyl)-O-(1-phenylethyl)hydroxylamine
CID 6712809
Oxifentorex
CID 176171
2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole
CID 102287811
(3S,4S)-2-ethyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 10903692
N-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine
CID 11197143
(3S)-2-benzyl-3-phenyl-1,2-oxazolidine
CID 11413758
2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole
CID 11514657
N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine
CID 14642527
(3S,4S)-3-phenyl-4-phenylselanyl-2-propan-2-yl-1,2-oxazolidine
CID 15758443
(3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 15758445
2,2-Dimethyl-3-(1-phenylethoxy)-4-phenyl-3-azapentane
CID 11403756
N-benzhydryl-N-tert-butylhydroxylamine
CID 14921781

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(2-phenylethyl)-3-propan-2-yl-3H-1,2-oxazole?
The IUPAC name of 2-benzyl-5-(2-phenylethyl)-3-propan-2-yl-3H-1,2-oxazole (CID 102461682) is 2-benzyl-5-(2-phenylethyl)-3-propan-2-yl-3H-1,2-oxazole.
What is the SMILES notation for 2-benzyl-5-(2-phenylethyl)-3-propan-2-yl-3H-1,2-oxazole?
The canonical SMILES for 2-benzyl-5-(2-phenylethyl)-3-propan-2-yl-3H-1,2-oxazole is CC(C)C1C=C(CCc2ccccc2)ON1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-(2-phenylethyl)-3-propan-2-yl-3H-1,2-oxazole?
The InChIKey is IPJBYIUWJYRMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-17(2)21-15-20(14-13-18-9-5-3-6-10-18)23-22(21)16-19-11-7-4-8-12-19/h3-12,15,17,21H,13-14,16H2,1-2H3.
What are the key properties of 2-benzyl-5-(2-phenylethyl)-3-propan-2-yl-3H-1,2-oxazole?
2-benzyl-5-(2-phenylethyl)-3-propan-2-yl-3H-1,2-oxazole has a molecular weight of 307.44 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(2-phenylethyl)-3-propan-2-yl-3H-1,2-oxazole is sourced from PubChem (CID 102461682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).