N-[[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine

C13H18N2O2S — CID 81128594

IUPACN-[[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1csc(-c2cnc(CNCC(C)C)o2)c1
InChIInChI=1S/C13H18N2O2S/c1-9(2)5-14-7-13-15-6-11(17-13)12-4-10(16-3)8-18-12/h4,6,8-9,14H,5,7H2,1-3H3
InChIKeyMCABWULRJVORLR-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.16
Rot. Bonds6

About N-[[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 81128594) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID81128594
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1csc(-c2cnc(CNCC(C)C)o2)c1
InChIInChI=1S/C13H18N2O2S/c1-9(2)5-14-7-13-15-6-11(17-13)12-4-10(16-3)8-18-12/h4,6,8-9,14H,5,7H2,1-3H3
InChIKeyMCABWULRJVORLR-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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Related Compounds

3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 81129006
N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 80538161
N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81128462
1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 81129226
2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65181413
2-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184178
N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181259
N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181816
N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 82818536
N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181360
N-[[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181456
N-[[5-(3-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107994715

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (CID 81128594) is N-[[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is COc1csc(-c2cnc(CNCC(C)C)o2)c1.
What is the InChIKey of N-[[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is MCABWULRJVORLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9(2)5-14-7-13-15-6-11(17-13)12-4-10(16-3)8-18-12/h4,6,8-9,14H,5,7H2,1-3H3.
What are the key properties of N-[[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(4-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-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81128594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).