3-benzyl-2,5-dihydro-1,2-oxazole

C10H11NO — CID 57044806

IUPAC3-benzyl-2,5-dihydro-1,2-oxazole
SMILESC1=C(Cc2ccccc2)NOC1
InChIInChI=1S/C10H11NO/c1-2-4-9(5-3-1)8-10-6-7-12-11-10/h1-6,11H,7-8H2
InChIKeyKWEGICLYQSJKII-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.65
Rot. Bonds2

About 3-benzyl-2,5-dihydro-1,2-oxazole

3-benzyl-2,5-dihydro-1,2-oxazole (PubChem CID 57044806) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-benzyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-benzyl-2,5-dihydro-1,2-oxazole
PubChem CID57044806
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-benzyl-2,5-dihydro-1,2-oxazole
SMILESC1=C(Cc2ccccc2)NOC1
InChIInChI=1S/C10H11NO/c1-2-4-9(5-3-1)8-10-6-7-12-11-10/h1-6,11H,7-8H2
InChIKeyKWEGICLYQSJKII-UHFFFAOYSA-N
XLogP1.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyloxazine
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N-ethoxy-2-phenylethanamine
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3-Phenyl-2-propylene amine
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N-Ethoxy-alpha-methylphenethylamine
CID 24841305
3-[4,4-Bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole
CID 57118295
1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine
CID 90980629
3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole
CID 91587883
3-[3-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
CID 123323469
Thiobenzoyloxazin
CID 129634604
Geranyloxyphenethylamine
CID 129710303
4-phenyl-3,6-dihydro-2H-oxazine
CID 12580583
3-phenyl-2H-1,2-oxazole-5-thione
CID 14551982

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-benzyl-2,5-dihydro-1,2-oxazole (CID 57044806) is 3-benzyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-benzyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-benzyl-2,5-dihydro-1,2-oxazole is C1=C(Cc2ccccc2)NOC1.
What is the InChIKey of 3-benzyl-2,5-dihydro-1,2-oxazole?
The InChIKey is KWEGICLYQSJKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-4-9(5-3-1)8-10-6-7-12-11-10/h1-6,11H,7-8H2.
What are the key properties of 3-benzyl-2,5-dihydro-1,2-oxazole?
3-benzyl-2,5-dihydro-1,2-oxazole has a molecular weight of 161.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57044806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).