4-benzyl-4,5-dihydro-1,2-oxazole

C10H11NO — CID 562962

IUPAC4-benzyl-4,5-dihydro-1,2-oxazole
SMILESC1=NOCC1Cc1ccccc1
InChIInChI=1S/C10H11NO/c1-2-4-9(5-3-1)6-10-7-11-12-8-10/h1-5,7,10H,6,8H2
InChIKeyNRQJYODZMIJEPD-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.86
Rot. Bonds2

About 4-benzyl-4,5-dihydro-1,2-oxazole

4-benzyl-4,5-dihydro-1,2-oxazole (PubChem CID 562962) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-benzyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-benzyl-4,5-dihydro-1,2-oxazole
PubChem CID562962
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name4-benzyl-4,5-dihydro-1,2-oxazole
SMILESC1=NOCC1Cc1ccccc1
InChIInChI=1S/C10H11NO/c1-2-4-9(5-3-1)6-10-7-11-12-8-10/h1-5,7,10H,6,8H2
InChIKeyNRQJYODZMIJEPD-UHFFFAOYSA-N
XLogP1.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(NE)-N-[(2-phenylcyclopenten-1-yl)methylidene]hydroxylamine
CID 142575031
2-Phenylpropionaldehyde oxime
CID 9576158
5-(Fluoromethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 154714385
N-(2-phenylpropylidene)hydroxylamine
CID 98005
5-(2-Fluorophenyl)-4,5-dihydroisoxazole
CID 129838346
Phenylacetaldehyde, O-methyloxime, (E)
CID 54141679
5-Phenylisoxazoline
CID 568817
Isoxazole, 4,5-dihydro-3-phenyl-
CID 840162
Pentanal O-benzyloxime
CID 9602269
O-Ethylbenzaldoxime
CID 9603202
5-Methyl-5-phenylisoxazoline
CID 13123756
3-PH Propionaldehyde oxime,ME ether
CID 15638563

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 4-benzyl-4,5-dihydro-1,2-oxazole (CID 562962) is 4-benzyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-benzyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-benzyl-4,5-dihydro-1,2-oxazole is C1=NOCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-4,5-dihydro-1,2-oxazole?
The InChIKey is NRQJYODZMIJEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-4-9(5-3-1)6-10-7-11-12-8-10/h1-5,7,10H,6,8H2.
What are the key properties of 4-benzyl-4,5-dihydro-1,2-oxazole?
4-benzyl-4,5-dihydro-1,2-oxazole has a molecular weight of 161.20 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 562962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).