5-(3-methylpentadecan-3-yl)-1,3-oxazole

C19H35NO — CID 170549618

IUPAC5-(3-methylpentadecan-3-yl)-1,3-oxazole
SMILESCCCCCCCCCCCCC(C)(CC)c1cnco1
InChIInChI=1S/C19H35NO/c1-4-6-7-8-9-10-11-12-13-14-15-19(3,5-2)18-16-20-17-21-18/h16-17H,4-15H2,1-3H3
InChIKeyROHGDRIHTCNXDX-UHFFFAOYSA-N
MW293.50 g/mol
LogP6.65
Rot. Bonds13

About 5-(3-methylpentadecan-3-yl)-1,3-oxazole

5-(3-methylpentadecan-3-yl)-1,3-oxazole (PubChem CID 170549618) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 5-(3-methylpentadecan-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3-methylpentadecan-3-yl)-1,3-oxazole
PubChem CID170549618
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name5-(3-methylpentadecan-3-yl)-1,3-oxazole
SMILESCCCCCCCCCCCCC(C)(CC)c1cnco1
InChIInChI=1S/C19H35NO/c1-4-6-7-8-9-10-11-12-13-14-15-19(3,5-2)18-16-20-17-21-18/h16-17H,4-15H2,1-3H3
InChIKeyROHGDRIHTCNXDX-UHFFFAOYSA-N
XLogP6.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 56.65
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

5-(3-methylnonan-3-yloxymethyl)-1,3-oxazole
CID 139320118
2-(3-methylnonan-3-yl)pyrazine
CID 139342316
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
4-(7-methyltridecan-7-yl)pyridazine
CID 146508245
4-(5-methylundecan-5-yl)pyridine
CID 146178387
5-(3-methylnonan-3-yl)pyridin-3-amine
CID 137436424
2-bromo-3-(3-methyloctan-3-yl)pyrazine
CID 146376762
5-(4-methyldecan-4-yl)-1,3-thiazole
CID 167193600
2-fluoro-6-(3-methyloctan-3-yl)pyrazine
CID 146377439
5-(5-methylundecan-5-yl)-1H-imidazole
CID 166683864
2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole
CID 155110068
4-methyl-3-(6-methyldodecan-6-yl)pyridine
CID 134177281

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpentadecan-3-yl)-1,3-oxazole?
The IUPAC name of 5-(3-methylpentadecan-3-yl)-1,3-oxazole (CID 170549618) is 5-(3-methylpentadecan-3-yl)-1,3-oxazole.
What is the SMILES notation for 5-(3-methylpentadecan-3-yl)-1,3-oxazole?
The canonical SMILES for 5-(3-methylpentadecan-3-yl)-1,3-oxazole is CCCCCCCCCCCCC(C)(CC)c1cnco1.
What is the InChIKey of 5-(3-methylpentadecan-3-yl)-1,3-oxazole?
The InChIKey is ROHGDRIHTCNXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-4-6-7-8-9-10-11-12-13-14-15-19(3,5-2)18-16-20-17-21-18/h16-17H,4-15H2,1-3H3.
What are the key properties of 5-(3-methylpentadecan-3-yl)-1,3-oxazole?
5-(3-methylpentadecan-3-yl)-1,3-oxazole has a molecular weight of 293.50 g/mol, XLogP of 6.65, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpentadecan-3-yl)-1,3-oxazole is sourced from PubChem (CID 170549618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).