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

C19H29NO — CID 132519401

IUPAC2-(4-decylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCC1=CC=C(C=C1)C2=NCCO2
InChIInChI=1S/C19H29NO/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19-20-15-16-21-19/h11-14H,2-10,15-16H2,1H3
InChIKeyWNYYSXNKYWRAQE-UHFFFAOYSA-N
MW287.40 g/mol
LogP6.60
Rot. Bonds10

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

2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 132519401) has the molecular formula C19H29NO and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(4-decylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID132519401
Molecular FormulaC19H29NO
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-(4-decylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCC1=CC=C(C=C1)C2=NCCO2
InChIInChI=1S/C19H29NO/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19-20-15-16-21-19/h11-14H,2-10,15-16H2,1H3
InChIKeyWNYYSXNKYWRAQE-UHFFFAOYSA-N
XLogP6.60
TPSA21.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity292

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.40
LogP ≤ 56.60
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

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CID 213029
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N,N-Dimethyl-2-[(S)-(4-methylphenyl)phenylmethoxy]ethanamine
CID 11437142
2-Phenyl-2-oxazoline
CID 244030
2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole)
CID 81929
Oxazole, 2,2'-(1,3-phenylene)bis[4,5-dihydro-
CID 604269
(R)-Neobenodine
CID 11097588
4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301
4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
4,5-Dihydro-2-[3-(trifluoromethyl)phenyl]-oxazole
CID 67984069
(4S)-2-(3-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 17756809

Frequently Asked Questions

What is the IUPAC name of 2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole (CID 132519401) is 2-(4-decylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole is CCCCCCCCCCC1=CC=C(C=C1)C2=NCCO2.
What is the InChIKey of 2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is WNYYSXNKYWRAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19-20-15-16-21-19/h11-14H,2-10,15-16H2,1H3.
What are the key properties of 2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole?
2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 287.40 g/mol, XLogP of 6.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132519401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).