3-tridecan-7-yl-1,2-oxazol-4-amine

C16H30N2O — CID 155010814

IUPAC3-tridecan-7-yl-1,2-oxazol-4-amine
SMILESCCCCCCC(CCCCCC)c1nocc1N
InChIInChI=1S/C16H30N2O/c1-3-5-7-9-11-14(12-10-8-6-4-2)16-15(17)13-19-18-16/h13-14H,3-12,17H2,1-2H3
InChIKeyVSWHJJFOIRKUFR-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.28
Rot. Bonds11

About 3-tridecan-7-yl-1,2-oxazol-4-amine

3-tridecan-7-yl-1,2-oxazol-4-amine (PubChem CID 155010814) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-tridecan-7-yl-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-tridecan-7-yl-1,2-oxazol-4-amine
PubChem CID155010814
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-tridecan-7-yl-1,2-oxazol-4-amine
SMILESCCCCCCC(CCCCCC)c1nocc1N
InChIInChI=1S/C16H30N2O/c1-3-5-7-9-11-14(12-10-8-6-4-2)16-15(17)13-19-18-16/h13-14H,3-12,17H2,1-2H3
InChIKeyVSWHJJFOIRKUFR-UHFFFAOYSA-N
XLogP5.28
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-nonan-2-yl-1,2-oxazol-4-amine
CID 175901419
4-ethyl-3-undecan-5-yl-1,2-oxazole
CID 155322421
2-icosan-9-ylaniline
CID 22408958
2-methyl-3-tridecan-7-ylpyrazine
CID 129212900
dodecan-2-yl(trimethyl)silane
CID 11425039
4-fluoro-5-tridecan-7-yl-2H-triazole
CID 130311206
2-phenylundecan-1-amine
CID 57256894
5-tridecan-7-yl-1,2-oxazole
CID 129119841
2-octan-2-ylpyrazol-3-amine
CID 43130133
4-pentacosan-13-ylpyridin-2-amine
CID 68644515
2-octan-4-ylpyridin-3-amine
CID 134178133
2-tetradecan-7-yl-1,3,4-oxadiazole
CID 129156165

Frequently Asked Questions

What is the IUPAC name of 3-tridecan-7-yl-1,2-oxazol-4-amine?
The IUPAC name of 3-tridecan-7-yl-1,2-oxazol-4-amine (CID 155010814) is 3-tridecan-7-yl-1,2-oxazol-4-amine.
What is the SMILES notation for 3-tridecan-7-yl-1,2-oxazol-4-amine?
The canonical SMILES for 3-tridecan-7-yl-1,2-oxazol-4-amine is CCCCCCC(CCCCCC)c1nocc1N.
What is the InChIKey of 3-tridecan-7-yl-1,2-oxazol-4-amine?
The InChIKey is VSWHJJFOIRKUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-5-7-9-11-14(12-10-8-6-4-2)16-15(17)13-19-18-16/h13-14H,3-12,17H2,1-2H3.
What are the key properties of 3-tridecan-7-yl-1,2-oxazol-4-amine?
3-tridecan-7-yl-1,2-oxazol-4-amine has a molecular weight of 266.43 g/mol, XLogP of 5.28, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tridecan-7-yl-1,2-oxazol-4-amine is sourced from PubChem (CID 155010814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).