3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine

C15H22N2OS — CID 65428658

IUPAC3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCCCCCCCCc1noc(N)c1-c1cccs1
InChIInChI=1S/C15H22N2OS/c1-2-3-4-5-6-7-9-12-14(15(16)18-17-12)13-10-8-11-19-13/h8,10-11H,2-7,9,16H2,1H3
InChIKeyPAMFAVSDZMJNAK-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.89
Rot. Bonds8

About 3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine

3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 65428658) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID65428658
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCCCCCCCCc1noc(N)c1-c1cccs1
InChIInChI=1S/C15H22N2OS/c1-2-3-4-5-6-7-9-12-14(15(16)18-17-12)13-10-8-11-19-13/h8,10-11H,2-7,9,16H2,1H3
InChIKeyPAMFAVSDZMJNAK-UHFFFAOYSA-N
XLogP4.89
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62503085
1-methyl-3-octyl-4-thiophen-2-ylpyrazol-5-amine
CID 65428257
3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62501391
3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80522271
4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine
CID 43157921
4-(4-fluorophenyl)-3-hexyl-1,2-oxazol-5-amine
CID 114753015
4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole
CID 101449342
4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine
CID 114753024
3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500884
4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine
CID 43670980
2-(2,6-dioctoxyphenyl)thiophene
CID 129070444
3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
CID 15363325

Frequently Asked Questions

What is the IUPAC name of 3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 65428658) is 3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine is CCCCCCCCc1noc(N)c1-c1cccs1.
What is the InChIKey of 3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is PAMFAVSDZMJNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-3-4-5-6-7-9-12-14(15(16)18-17-12)13-10-8-11-19-13/h8,10-11H,2-7,9,16H2,1H3.
What are the key properties of 3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 278.42 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 65428658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).