5-cyclohexyl-3-phenyl-4,5-dihydro-1,2-oxazole

C15H19NO — CID 14922417

IUPAC5-cyclohexyl-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2=NOC(C3CCCCC3)C2)cc1
InChIInChI=1S/C15H19NO/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1,3-4,7-8,13,15H,2,5-6,9-11H2
InChIKeyMDTGNXSRPJDQNH-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.76
Rot. Bonds2

About 5-cyclohexyl-3-phenyl-4,5-dihydro-1,2-oxazole

5-cyclohexyl-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 14922417) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-cyclohexyl-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-cyclohexyl-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID14922417
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name5-cyclohexyl-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2=NOC(C3CCCCC3)C2)cc1
InChIInChI=1S/C15H19NO/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1,3-4,7-8,13,15H,2,5-6,9-11H2
InChIKeyMDTGNXSRPJDQNH-UHFFFAOYSA-N
XLogP3.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.76
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
3-[4-Fluoro-2-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 71449648
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
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
(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 5-cyclohexyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-cyclohexyl-3-phenyl-4,5-dihydro-1,2-oxazole (CID 14922417) is 5-cyclohexyl-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-cyclohexyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-cyclohexyl-3-phenyl-4,5-dihydro-1,2-oxazole is c1ccc(C2=NOC(C3CCCCC3)C2)cc1.
What is the InChIKey of 5-cyclohexyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is MDTGNXSRPJDQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1,3-4,7-8,13,15H,2,5-6,9-11H2.
What are the key properties of 5-cyclohexyl-3-phenyl-4,5-dihydro-1,2-oxazole?
5-cyclohexyl-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 229.32 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 14922417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).