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

C13H18N2OS — CID 79144831

IUPAC2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCc1ccsc1-c1ocnc1CNCC(C)C
InChIInChI=1S/C13H18N2OS/c1-9(2)6-14-7-11-12(16-8-15-11)13-10(3)4-5-17-13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyFUNRUIVDTQIEIJ-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.46
Rot. Bonds5

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

2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 79144831) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID79144831
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCc1ccsc1-c1ocnc1CNCC(C)C
InChIInChI=1S/C13H18N2OS/c1-9(2)6-14-7-11-12(16-8-15-11)13-10(3)4-5-17-13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyFUNRUIVDTQIEIJ-UHFFFAOYSA-N
XLogP3.46
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 79144831) is 2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is Cc1ccsc1-c1ocnc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is FUNRUIVDTQIEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9(2)6-14-7-11-12(16-8-15-11)13-10(3)4-5-17-13/h4-5,8-9,14H,6-7H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 250.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 79144831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).