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

C15H18N4O2S — CID 26319507

IUPACN-methyl-1-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
SMILESCc1ccc(-c2nc(CN(C)Cc3nonc3C)c(C)o2)s1
InChIInChI=1S/C15H18N4O2S/c1-9-5-6-14(22-9)15-16-13(11(3)20-15)8-19(4)7-12-10(2)17-21-18-12/h5-6H,7-8H2,1-4H3
InChIKeyQDLRLWDKXDOXOM-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.34
Rot. Bonds5

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

N-methyl-1-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine (PubChem CID 26319507) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
PubChem CID26319507
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-methyl-1-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
SMILESCc1ccc(-c2nc(CN(C)Cc3nonc3C)c(C)o2)s1
InChIInChI=1S/C15H18N4O2S/c1-9-5-6-14(22-9)15-16-13(11(3)20-15)8-19(4)7-12-10(2)17-21-18-12/h5-6H,7-8H2,1-4H3
InChIKeyQDLRLWDKXDOXOM-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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Related Compounds

N-methyl-N-{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}tetrahydrofuran-3-amine
CID 16187472
3-Ethyl-4-{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}piperazin-2-one
CID 16188734
1-{[5-Methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 16188686
N-methyl-N-{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}tetrahydro-2H-pyran-4-amine
CID 16191428
(Cyclobutylmethyl){[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}(tetrahydrofuran-2-ylmethyl)amine
CID 16187452
(2S,5R)-2,5-dimethyl-1-{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}piperazine
CID 56738761
1-(3-ethylisoxazol-5-yl)-N-methyl-N-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}methanamine
CID 56753211
Ethyl 4-{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}-1-piperazinecarboxylate
CID 25377885
(1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 25491748
N-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-{[5-methyl-2-(3-thienyl)-1,3-oxazol-4-yl]methyl}methanamine
CID 29028159
N-ethyl-N-{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}-2-(1H-pyrazol-1-yl)ethanamine
CID 42214103
5-methyl-4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole
CID 95225837

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine (CID 26319507) is N-methyl-1-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine is Cc1ccc(-c2nc(CN(C)Cc3nonc3C)c(C)o2)s1.
What is the InChIKey of N-methyl-1-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is QDLRLWDKXDOXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-9-5-6-14(22-9)15-16-13(11(3)20-15)8-19(4)7-12-10(2)17-21-18-12/h5-6H,7-8H2,1-4H3.
What are the key properties of N-methyl-1-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine?
N-methyl-1-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(4-methyl-1,2,5-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-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 26319507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).