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

C12H19N5O — CID 77080704

IUPACN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1CN(C)Cc1nc(C)no1
InChIInChI=1S/C12H19N5O/c1-4-6-17-7-5-13-11(17)8-16(3)9-12-14-10(2)15-18-12/h5,7H,4,6,8-9H2,1-3H3
InChIKeyXAXMXRWRWHLJOI-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.62
Rot. Bonds6

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

N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylimidazol-2-yl)methanamine (PubChem CID 77080704) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylimidazol-2-yl)methanamine
PubChem CID77080704
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1CN(C)Cc1nc(C)no1
InChIInChI=1S/C12H19N5O/c1-4-6-17-7-5-13-11(17)8-16(3)9-12-14-10(2)15-18-12/h5,7H,4,6,8-9H2,1-3H3
InChIKeyXAXMXRWRWHLJOI-UHFFFAOYSA-N
XLogP1.62
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylimidazol-2-yl)methanamine (CID 77080704) is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1CN(C)Cc1nc(C)no1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylimidazol-2-yl)methanamine?
The InChIKey is XAXMXRWRWHLJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-6-17-7-5-13-11(17)8-16(3)9-12-14-10(2)15-18-12/h5,7H,4,6,8-9H2,1-3H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylimidazol-2-yl)methanamine?
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylimidazol-2-yl)methanamine has a molecular weight of 249.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 77080704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).