5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole

C18H19NO — CID 15445647

IUPAC5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCCC2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C18H19NO/c1-3-8-15(9-4-1)10-7-13-17-14-18(20-19-17)16-11-5-2-6-12-16/h1-6,8-9,11-12,18H,7,10,13-14H2
InChIKeyVRULQYCGVJWOMS-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.53
Rot. Bonds5

About 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole

5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole (PubChem CID 15445647) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
PubChem CID15445647
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCCC2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C18H19NO/c1-3-8-15(9-4-1)10-7-13-17-14-18(20-19-17)16-11-5-2-6-12-16/h1-6,8-9,11-12,18H,7,10,13-14H2
InChIKeyVRULQYCGVJWOMS-UHFFFAOYSA-N
XLogP4.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Benzoin oxime
CID 9924
Cupron
CID 5354084
2-Propanone, O-(phenylmethyl)oxime
CID 18803
(5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561968
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
(5R)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561972
Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-
CID 337795
3-Bromo-5-phenyl-4,5-dihydroisoxazole
CID 13228169
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
(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
(5S)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561971

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole (CID 15445647) is 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole is c1ccc(CCCC2=NOC(c3ccccc3)C2)cc1.
What is the InChIKey of 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is VRULQYCGVJWOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-8-15(9-4-1)10-7-13-17-14-18(20-19-17)16-11-5-2-6-12-16/h1-6,8-9,11-12,18H,7,10,13-14H2.
What are the key properties of 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole?
5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 265.36 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 15445647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).