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

C13H18N2OS — CID 65182964

IUPACN-[2-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(-c2sccc2C)o1
InChIInChI=1S/C13H18N2OS/c1-3-6-14-7-4-12-15-9-11(16-12)13-10(2)5-8-17-13/h5,8-9,14H,3-4,6-7H2,1-2H3
InChIKeyOANLDLGHYKNQQD-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.25
Rot. Bonds6

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

N-[2-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65182964) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[2-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65182964
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-[2-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(-c2sccc2C)o1
InChIInChI=1S/C13H18N2OS/c1-3-6-14-7-4-12-15-9-11(16-12)13-10(2)5-8-17-13/h5,8-9,14H,3-4,6-7H2,1-2H3
InChIKeyOANLDLGHYKNQQD-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-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 81128595
N-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186772
N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65309183
N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183219
N-[2-[5-(2-fluoro-5-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182962
N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183321
2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 81128097
N-[2-[5-(2-methyl-5-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183419
3-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186973
N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 65183258
N-[2-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 107994742
3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184545

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65182964) is N-[2-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNCCc1ncc(-c2sccc2C)o1.
What is the InChIKey of N-[2-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is OANLDLGHYKNQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-6-14-7-4-12-15-9-11(16-12)13-10(2)5-8-17-13/h5,8-9,14H,3-4,6-7H2,1-2H3.
What are the key properties of N-[2-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]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-[2-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65182964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).