N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine

C13H18N2O2S — CID 81128462

IUPACN-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccsc1-c1cnc(CNCC(C)C)o1
InChIInChI=1S/C13H18N2O2S/c1-9(2)6-14-8-12-15-7-11(17-12)13-10(16-3)4-5-18-13/h4-5,7,9,14H,6,8H2,1-3H3
InChIKeyYTYRIQMSDBEOIY-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.16
Rot. Bonds6

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

N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 81128462) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID81128462
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccsc1-c1cnc(CNCC(C)C)o1
InChIInChI=1S/C13H18N2O2S/c1-9(2)6-14-8-12-15-7-11(17-12)13-10(16-3)4-5-18-13/h4-5,7,9,14H,6,8H2,1-3H3
InChIKeyYTYRIQMSDBEOIY-UHFFFAOYSA-N
XLogP3.16
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (CID 81128462) is N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is COc1ccsc1-c1cnc(CNCC(C)C)o1.
What is the InChIKey of N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is YTYRIQMSDBEOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9(2)6-14-8-12-15-7-11(17-12)13-10(16-3)4-5-18-13/h4-5,7,9,14H,6,8H2,1-3H3.
What are the key properties of N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 266.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81128462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).