N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

C14H20N2OS — CID 65182827

IUPACN-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(-c2ccc(CC)s2)o1
InChIInChI=1S/C14H20N2OS/c1-4-8-15-10(3)14-16-9-12(17-14)13-7-6-11(5-2)18-13/h6-7,9-10,15H,4-5,8H2,1-3H3
InChIKeyVQKALOVNOYJMCI-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.03
Rot. Bonds6

About N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65182827) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65182827
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(-c2ccc(CC)s2)o1
InChIInChI=1S/C14H20N2OS/c1-4-8-15-10(3)14-16-9-12(17-14)13-7-6-11(5-2)18-13/h6-7,9-10,15H,4-5,8H2,1-3H3
InChIKeyVQKALOVNOYJMCI-UHFFFAOYSA-N
XLogP4.03
TPSA38.06 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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[5-(5-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181747
N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181303
N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183078
N-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183435
N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181959
N-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184537
N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181758
N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183077
N-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183384
N-[1-[5-(methoxymethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183024
1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine
CID 43494310
1-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 82819022

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65182827) is N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ncc(-c2ccc(CC)s2)o1.
What is the InChIKey of N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is VQKALOVNOYJMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-4-8-15-10(3)14-16-9-12(17-14)13-7-6-11(5-2)18-13/h6-7,9-10,15H,4-5,8H2,1-3H3.
What are the key properties of N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65182827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).