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

C15H18N4O2S — CID 56742055

IUPACN-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CN(C)Cc2nc(-c3sccc3C)oc2C)no1
InChIInChI=1S/C15H18N4O2S/c1-9-5-6-22-14(9)15-17-12(10(2)20-15)7-19(4)8-13-16-11(3)21-18-13/h5-6H,7-8H2,1-4H3
InChIKeyQGZJPONLLSLLSC-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.34
Rot. Bonds5

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

N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 56742055) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID56742055
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CN(C)Cc2nc(-c3sccc3C)oc2C)no1
InChIInChI=1S/C15H18N4O2S/c1-9-5-6-22-14(9)15-17-12(10(2)20-15)7-19(4)8-13-16-11(3)21-18-13/h5-6H,7-8H2,1-4H3
InChIKeyQGZJPONLLSLLSC-UHFFFAOYSA-N
XLogP3.34
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 56742055) is N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is Cc1nc(CN(C)Cc2nc(-c3sccc3C)oc2C)no1.
What is the InChIKey of N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is QGZJPONLLSLLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-9-5-6-22-14(9)15-17-12(10(2)20-15)7-19(4)8-13-16-11(3)21-18-13/h5-6H,7-8H2,1-4H3.
What are the key properties of N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 318.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 56742055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).