3,5-bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole

C19H21NO — CID 24881472

IUPAC3,5-bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCC2=NOC(CCc3ccccc3)C2)cc1
InChIInChI=1S/C19H21NO/c1-3-7-16(8-4-1)11-13-18-15-19(21-20-18)14-12-17-9-5-2-6-10-17/h1-10,19H,11-15H2
InChIKeyANJNUYIYHJBLQF-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.40
Rot. Bonds6

About 3,5-bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole

3,5-bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 24881472) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3,5-bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3,5-bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole
PubChem CID24881472
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3,5-bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCC2=NOC(CCc3ccccc3)C2)cc1
InChIInChI=1S/C19H21NO/c1-3-7-16(8-4-1)11-13-18-15-19(21-20-18)14-12-17-9-5-2-6-10-17/h1-10,19H,11-15H2
InChIKeyANJNUYIYHJBLQF-UHFFFAOYSA-N
XLogP4.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(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
4-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]benzonitrile
CID 71562092
N-(1,5-diphenylpentan-3-ylidene)hydroxylamine
CID 225565
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
5-(Bromomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 12384704
(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
(5S)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562089
4-[(5S)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]benzonitrile
CID 71562093

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3,5-bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole (CID 24881472) is 3,5-bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3,5-bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3,5-bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole is c1ccc(CCC2=NOC(CCc3ccccc3)C2)cc1.
What is the InChIKey of 3,5-bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is ANJNUYIYHJBLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-7-16(8-4-1)11-13-18-15-19(21-20-18)14-12-17-9-5-2-6-10-17/h1-10,19H,11-15H2.
What are the key properties of 3,5-bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
3,5-bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 279.38 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-phenylethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 24881472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).