N-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine

C13H18N4O — CID 114204681

IUPACN-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1cnc(C(C)n2cnc(CNC3CC3)c2)o1
InChIInChI=1S/C13H18N4O/c1-9-5-15-13(18-9)10(2)17-7-12(16-8-17)6-14-11-3-4-11/h5,7-8,10-11,14H,3-4,6H2,1-2H3
InChIKeyNDKGCIGDIBPMGI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.04
Rot. Bonds5

About N-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine

N-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 114204681) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID114204681
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1cnc(C(C)n2cnc(CNC3CC3)c2)o1
InChIInChI=1S/C13H18N4O/c1-9-5-15-13(18-9)10(2)17-7-12(16-8-17)6-14-11-3-4-11/h5,7-8,10-11,14H,3-4,6H2,1-2H3
InChIKeyNDKGCIGDIBPMGI-UHFFFAOYSA-N
XLogP2.04
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine (CID 114204681) is N-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine is Cc1cnc(C(C)n2cnc(CNC3CC3)c2)o1.
What is the InChIKey of N-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is NDKGCIGDIBPMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-5-15-13(18-9)10(2)17-7-12(16-8-17)6-14-11-3-4-11/h5,7-8,10-11,14H,3-4,6H2,1-2H3.
What are the key properties of N-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 246.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114204681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).