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

C13H18N2OS — CID 65186772

IUPACN-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCCNCCCc1ncc(-c2sccc2C)o1
InChIInChI=1S/C13H18N2OS/c1-3-14-7-4-5-12-15-9-11(16-12)13-10(2)6-8-17-13/h6,8-9,14H,3-5,7H2,1-2H3
InChIKeyNTZCVVLHKCIXIN-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.25
Rot. Bonds6

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

N-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65186772) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65186772
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCCNCCCc1ncc(-c2sccc2C)o1
InChIInChI=1S/C13H18N2OS/c1-3-14-7-4-5-12-15-9-11(16-12)13-10(2)6-8-17-13/h6,8-9,14H,3-5,7H2,1-2H3
InChIKeyNTZCVVLHKCIXIN-UHFFFAOYSA-N
XLogP3.25
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.25
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

N-[2-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182964
N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184894
3-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187301
3-[5-(3-bromo-4-methylphenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 81488018
3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184545
N-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187113
N-ethyl-3-[5-(2-methyl-4-nitrophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186815
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187402
3-[5-(2-ethoxyphenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187014
N-ethyl-3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 66120498
N-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 81128595
2-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 82817976

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine (CID 65186772) is N-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine is CCNCCCc1ncc(-c2sccc2C)o1.
What is the InChIKey of N-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is NTZCVVLHKCIXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-14-7-4-5-12-15-9-11(16-12)13-10(2)6-8-17-13/h6,8-9,14H,3-5,7H2,1-2H3.
What are the key properties of N-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine?
N-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 250.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65186772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).