4-(3-ethylheptadecan-3-yl)-1,3-oxazole

C22H41NO — CID 170549623

IUPAC4-(3-ethylheptadecan-3-yl)-1,3-oxazole
SMILESCCCCCCCCCCCCCCC(CC)(CC)c1cocn1
InChIInChI=1S/C22H41NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22(5-2,6-3)21-19-24-20-23-21/h19-20H,4-18H2,1-3H3
InChIKeyQPUMDTZXGSXAEX-UHFFFAOYSA-N
MW335.58 g/mol
LogP7.82
Rot. Bonds16

About 4-(3-ethylheptadecan-3-yl)-1,3-oxazole

4-(3-ethylheptadecan-3-yl)-1,3-oxazole (PubChem CID 170549623) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is 4-(3-ethylheptadecan-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(3-ethylheptadecan-3-yl)-1,3-oxazole
PubChem CID170549623
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Name4-(3-ethylheptadecan-3-yl)-1,3-oxazole
SMILESCCCCCCCCCCCCCCC(CC)(CC)c1cocn1
InChIInChI=1S/C22H41NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22(5-2,6-3)21-19-24-20-23-21/h19-20H,4-18H2,1-3H3
InChIKeyQPUMDTZXGSXAEX-UHFFFAOYSA-N
XLogP7.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 57.82
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

4-(2-methyloctan-2-yl)-1,3-oxazole
CID 166896214
4-pentyl-1,3-oxazole
CID 19420718
4-(3-ethyloctan-3-yl)triazine
CID 175126429
hexoxy(1,3-oxazol-4-yl)tin
CID 174400449
4-(3-ethylheptadecan-3-yl)-3H-1,3-oxazol-2-one
CID 138558555
1,3-bis(3-ethyldodecan-3-yl)benzene
CID 150177069
5-(3-methylpentadecan-3-yl)-1,3-oxazole
CID 170549618
2-(3-methylnonan-3-yl)pyrazine
CID 139342316
5-(7-hexylhexadecan-7-yl)-2-[5-(7-hexylhexadecan-7-yl)-2-pyridinyl]pyridine
CID 151706629
2-(8-ethylpentadecan-8-yl)phenol
CID 87184015
2-(11-ethylhenicosan-11-yl)phenol
CID 87183827
2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole
CID 155110068

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylheptadecan-3-yl)-1,3-oxazole?
The IUPAC name of 4-(3-ethylheptadecan-3-yl)-1,3-oxazole (CID 170549623) is 4-(3-ethylheptadecan-3-yl)-1,3-oxazole.
What is the SMILES notation for 4-(3-ethylheptadecan-3-yl)-1,3-oxazole?
The canonical SMILES for 4-(3-ethylheptadecan-3-yl)-1,3-oxazole is CCCCCCCCCCCCCCC(CC)(CC)c1cocn1.
What is the InChIKey of 4-(3-ethylheptadecan-3-yl)-1,3-oxazole?
The InChIKey is QPUMDTZXGSXAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22(5-2,6-3)21-19-24-20-23-21/h19-20H,4-18H2,1-3H3.
What are the key properties of 4-(3-ethylheptadecan-3-yl)-1,3-oxazole?
4-(3-ethylheptadecan-3-yl)-1,3-oxazole has a molecular weight of 335.58 g/mol, XLogP of 7.82, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylheptadecan-3-yl)-1,3-oxazole is sourced from PubChem (CID 170549623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).