4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine

C12H16N2OS — CID 43670980

IUPAC4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine
SMILESCCc1c(CCCc2cccs2)noc1N
InChIInChI=1S/C12H16N2OS/c1-2-10-11(14-15-12(10)13)7-3-5-9-6-4-8-16-9/h4,6,8H,2-3,5,7,13H2,1H3
InChIKeyIBUXHTPHGCEVFB-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.06
Rot. Bonds5

About 4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine

4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine (PubChem CID 43670980) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine
PubChem CID43670980
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine
SMILESCCc1c(CCCc2cccs2)noc1N
InChIInChI=1S/C12H16N2OS/c1-2-10-11(14-15-12(10)13)7-3-5-9-6-4-8-16-9/h4,6,8H,2-3,5,7,13H2,1H3
InChIKeyIBUXHTPHGCEVFB-UHFFFAOYSA-N
XLogP3.06
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butylthiophene;methanamine
CID 143080300
4-(3-chlorophenyl)-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine
CID 43335624
3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62503085
3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 65428658
4-thiophen-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
CID 66199989
ethane;2-pentylthiophene
CID 143883800
2-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325485
methane;2-undecylthiophene
CID 175504380
2-(4-fluorobutyl)thiophene
CID 67851736
[1-(4-ethylphenyl)-4-thiophen-2-ylbutyl]hydrazine
CID 105292889
4-pyridin-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
CID 80522730
4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
CID 66205392

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine (CID 43670980) is 4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine is CCc1c(CCCc2cccs2)noc1N.
What is the InChIKey of 4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine?
The InChIKey is IBUXHTPHGCEVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-10-11(14-15-12(10)13)7-3-5-9-6-4-8-16-9/h4,6,8H,2-3,5,7,13H2,1H3.
What are the key properties of 4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine?
4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine has a molecular weight of 236.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(3-thiophen-2-ylpropyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43670980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).