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

C14H20N2OS — CID 82987307

IUPAC5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESCCCC(CCC)c1onc(N)c1-c1cccs1
InChIInChI=1S/C14H20N2OS/c1-3-6-10(7-4-2)13-12(14(15)16-17-13)11-8-5-9-18-11/h5,8-10H,3-4,6-7H2,1-2H3,(H2,15,16)
InChIKeySJWMHAFBJOOGDX-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.67
Rot. Bonds6

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

5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 82987307) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID82987307
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESCCCC(CCC)c1onc(N)c1-c1cccs1
InChIInChI=1S/C14H20N2OS/c1-3-6-10(7-4-2)13-12(14(15)16-17-13)11-8-5-9-18-11/h5,8-10H,3-4,6-7H2,1-2H3,(H2,15,16)
InChIKeySJWMHAFBJOOGDX-UHFFFAOYSA-N
XLogP4.67
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine
CID 82987497
4-thiophen-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
CID 66199989
5-[2-(2-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199378
3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62503085
5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525035
3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 65428658
5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66198188
4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
CID 66206420
5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199576
5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200393
5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199577
4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 80525813

Frequently Asked Questions

What is the IUPAC name of 5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine (CID 82987307) is 5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine is CCCC(CCC)c1onc(N)c1-c1cccs1.
What is the InChIKey of 5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is SJWMHAFBJOOGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-6-10(7-4-2)13-12(14(15)16-17-13)11-8-5-9-18-11/h5,8-10H,3-4,6-7H2,1-2H3,(H2,15,16).
What are the key properties of 5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine?
5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine has a molecular weight of 264.39 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 82987307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).