N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine

C13H18N4O — CID 77087731

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
SMILESCc1cc(CN(Cc2nccn2C)C2CC2)on1
InChIInChI=1S/C13H18N4O/c1-10-7-12(18-15-10)8-17(11-3-4-11)9-13-14-5-6-16(13)2/h5-7,11H,3-4,8-9H2,1-2H3
InChIKeyRNYDOWYOKRLDLH-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.88
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine

N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine (PubChem CID 77087731) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
PubChem CID77087731
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
SMILESCc1cc(CN(Cc2nccn2C)C2CC2)on1
InChIInChI=1S/C13H18N4O/c1-10-7-12(18-15-10)8-17(11-3-4-11)9-13-14-5-6-16(13)2/h5-7,11H,3-4,8-9H2,1-2H3
InChIKeyRNYDOWYOKRLDLH-UHFFFAOYSA-N
XLogP1.88
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine (CID 77087731) is N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine is Cc1cc(CN(Cc2nccn2C)C2CC2)on1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine?
The InChIKey is RNYDOWYOKRLDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-7-12(18-15-10)8-17(11-3-4-11)9-13-14-5-6-16(13)2/h5-7,11H,3-4,8-9H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine?
N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine has a molecular weight of 246.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 77087731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).