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

C13H18N2O2S — CID 81128595

IUPACN-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(-c2sccc2OC)o1
InChIInChI=1S/C13H18N2O2S/c1-3-6-14-7-4-12-15-9-11(17-12)13-10(16-2)5-8-18-13/h5,8-9,14H,3-4,6-7H2,1-2H3
InChIKeySMMAGRRSCOHYBK-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.95
Rot. Bonds7

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

N-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 81128595) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID81128595
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(-c2sccc2OC)o1
InChIInChI=1S/C13H18N2O2S/c1-3-6-14-7-4-12-15-9-11(17-12)13-10(16-2)5-8-18-13/h5,8-9,14H,3-4,6-7H2,1-2H3
InChIKeySMMAGRRSCOHYBK-UHFFFAOYSA-N
XLogP2.95
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 81128595) is N-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNCCc1ncc(-c2sccc2OC)o1.
What is the InChIKey of N-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is SMMAGRRSCOHYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-6-14-7-4-12-15-9-11(17-12)13-10(16-2)5-8-18-13/h5,8-9,14H,3-4,6-7H2,1-2H3.
What are the key properties of N-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 266.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 81128595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).