4-benzyl-3-methyl-4,5-dihydro-1,2-oxazole

C11H13NO — CID 12959092

IUPAC4-benzyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOCC1Cc1ccccc1
InChIInChI=1S/C11H13NO/c1-9-11(8-13-12-9)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKeyUARNGKZRMTXHGR-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.25
Rot. Bonds2

About 4-benzyl-3-methyl-4,5-dihydro-1,2-oxazole

4-benzyl-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 12959092) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-benzyl-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-benzyl-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID12959092
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-benzyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOCC1Cc1ccccc1
InChIInChI=1S/C11H13NO/c1-9-11(8-13-12-9)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKeyUARNGKZRMTXHGR-UHFFFAOYSA-N
XLogP2.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propanone, O-(phenylmethyl)oxime
CID 18803
5-(Bromomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 12384704
1-(3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethan-1-ol
CID 13307489
(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453
5-Benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 13682273
Isoxazole, 5-(dimethylphosphinyl)-4,5-dihydro-3-phenyl-
CID 3079421
cis-3-Phenyl-4,5-tetramethyleneisoxazoline
CID 12999871
3,5-Dibenzyl-4,5-dihydro-1,2-oxazole
CID 15270458
3-Phenyl-5-[(phenylselanyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71415539
1-Propanone, 2-methyl-1-phenyl-, oxime
CID 264231
3-Phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 15445645

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 4-benzyl-3-methyl-4,5-dihydro-1,2-oxazole (CID 12959092) is 4-benzyl-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-benzyl-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-benzyl-3-methyl-4,5-dihydro-1,2-oxazole is CC1=NOCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is UARNGKZRMTXHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-9-11(8-13-12-9)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3.
What are the key properties of 4-benzyl-3-methyl-4,5-dihydro-1,2-oxazole?
4-benzyl-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 175.23 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 12959092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).