2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole

C15H21NO — CID 132519397

IUPAC2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C15H21NO/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-16-11-12-17-15/h7-10H,2-6,11-12H2,1H3
InChIKeyPAXWOJQMPNYOAQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.59
Rot. Bonds6

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

2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 132519397) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID132519397
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C15H21NO/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-16-11-12-17-15/h7-10H,2-6,11-12H2,1H3
InChIKeyPAXWOJQMPNYOAQ-UHFFFAOYSA-N
XLogP3.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-octyl-4-(4-octylphenyl)benzene
CID 22766415
(4-heptylphenyl)borane
CID 123446258
1-butyl-4-nonylbenzene
CID 59545302
2-nonadecyl-4,5-dihydro-1,3-oxazole
CID 22999535
4-(4-octadecylphenyl)benzenethiol
CID 134936183
2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole
CID 22999547
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
1-methyl-4-octylbenzene
CID 11052746
2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole
CID 101158945
2-(4-octylphenyl)-5-[6-[5-(4-octylphenyl)-1,3,4-oxadiazol-2-yl]-1,2,4,5-tetrazin-3-yl]-1,3,4-oxadiazole
CID 10651109
2-(4-heptylphenyl)-1,3-oxazole
CID 59546194
(4-decylphenyl)-trimethylsilane
CID 69331769

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole (CID 132519397) is 2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole is CCCCCCc1ccc(C2=NCCO2)cc1.
What is the InChIKey of 2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is PAXWOJQMPNYOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-16-11-12-17-15/h7-10H,2-6,11-12H2,1H3.
What are the key properties of 2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole?
2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 231.34 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132519397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).