3-(4-chlorophenyl)-5-hexyl-4,5-dihydro-1,2-oxazole

C15H20ClNO — CID 102527174

IUPAC3-(4-chlorophenyl)-5-hexyl-4,5-dihydro-1,2-oxazole
SMILESCCCCCCC1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C15H20ClNO/c1-2-3-4-5-6-14-11-15(17-18-14)12-7-9-13(16)10-8-12/h7-10,14H,2-6,11H2,1H3
InChIKeyHKMVJMQUNOBDGB-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.80
Rot. Bonds6

About 3-(4-chlorophenyl)-5-hexyl-4,5-dihydro-1,2-oxazole

3-(4-chlorophenyl)-5-hexyl-4,5-dihydro-1,2-oxazole (PubChem CID 102527174) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-hexyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-hexyl-4,5-dihydro-1,2-oxazole
PubChem CID102527174
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-(4-chlorophenyl)-5-hexyl-4,5-dihydro-1,2-oxazole
SMILESCCCCCCC1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C15H20ClNO/c1-2-3-4-5-6-14-11-15(17-18-14)12-7-9-13(16)10-8-12/h7-10,14H,2-6,11H2,1H3
InChIKeyHKMVJMQUNOBDGB-UHFFFAOYSA-N
XLogP4.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Clovoxamine
CID 6335903
5-Benzyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544904
(5R)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562090
(5R)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562324
5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole
CID 59544929
5-Benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544959
(5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562091
(5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562325
3-(4-Chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 59544954
Phosphonic acid, ((3-(4-chlorophenyl)-4,5-dihydro-5-isoxazolyl)methyl)-
CID 3079429
4-[3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]butan-2-one
CID 24982811
(5R)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562326

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-hexyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-hexyl-4,5-dihydro-1,2-oxazole (CID 102527174) is 3-(4-chlorophenyl)-5-hexyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-hexyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-hexyl-4,5-dihydro-1,2-oxazole is CCCCCCC1CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of 3-(4-chlorophenyl)-5-hexyl-4,5-dihydro-1,2-oxazole?
The InChIKey is HKMVJMQUNOBDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-3-4-5-6-14-11-15(17-18-14)12-7-9-13(16)10-8-12/h7-10,14H,2-6,11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-hexyl-4,5-dihydro-1,2-oxazole?
3-(4-chlorophenyl)-5-hexyl-4,5-dihydro-1,2-oxazole has a molecular weight of 265.78 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-hexyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 102527174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).