3-nonan-2-yl-1,2-oxazol-4-amine

C12H22N2O — CID 175901419

IUPAC3-nonan-2-yl-1,2-oxazol-4-amine
SMILESCCCCCCCC(C)c1nocc1N
InChIInChI=1S/C12H22N2O/c1-3-4-5-6-7-8-10(2)12-11(13)9-15-14-12/h9-10H,3-8,13H2,1-2H3
InChIKeyKNZBBIMEIFPPHF-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.72
Rot. Bonds7

About 3-nonan-2-yl-1,2-oxazol-4-amine

3-nonan-2-yl-1,2-oxazol-4-amine (PubChem CID 175901419) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-nonan-2-yl-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-nonan-2-yl-1,2-oxazol-4-amine
PubChem CID175901419
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-nonan-2-yl-1,2-oxazol-4-amine
SMILESCCCCCCCC(C)c1nocc1N
InChIInChI=1S/C12H22N2O/c1-3-4-5-6-7-8-10(2)12-11(13)9-15-14-12/h9-10H,3-8,13H2,1-2H3
InChIKeyKNZBBIMEIFPPHF-UHFFFAOYSA-N
XLogP3.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.72
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-tridecan-7-yl-1,2-oxazol-4-amine
CID 155010814
4-ethyl-3-undecan-5-yl-1,2-oxazole
CID 155322421
4-docosan-2-ylaniline
CID 22757336
2-nonan-2-ylfuran
CID 160791396
dodecan-2-yl(trimethyl)silane
CID 11425039
2-octan-2-ylpyrazol-3-amine
CID 43130133
1-methyl-5-octan-2-ylpyrazole
CID 135218459
5-heptan-2-ylpyrimidine-2,4-diamine
CID 175944646
2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide
CID 175874381
chloro-dimethyl-nonan-2-ylsilane
CID 101114089
3-hexadecan-2-yl-4H-1,2,4-oxadiazol-5-one
CID 138558356
5-octadecan-2-yl-1H-1,2,4-triazole
CID 157179819

Frequently Asked Questions

What is the IUPAC name of 3-nonan-2-yl-1,2-oxazol-4-amine?
The IUPAC name of 3-nonan-2-yl-1,2-oxazol-4-amine (CID 175901419) is 3-nonan-2-yl-1,2-oxazol-4-amine.
What is the SMILES notation for 3-nonan-2-yl-1,2-oxazol-4-amine?
The canonical SMILES for 3-nonan-2-yl-1,2-oxazol-4-amine is CCCCCCCC(C)c1nocc1N.
What is the InChIKey of 3-nonan-2-yl-1,2-oxazol-4-amine?
The InChIKey is KNZBBIMEIFPPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-5-6-7-8-10(2)12-11(13)9-15-14-12/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 3-nonan-2-yl-1,2-oxazol-4-amine?
3-nonan-2-yl-1,2-oxazol-4-amine has a molecular weight of 210.32 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonan-2-yl-1,2-oxazol-4-amine is sourced from PubChem (CID 175901419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).