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

C10H14N4O2 — CID 104579734

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2nnc(C)o2)o1
InChIInChI=1S/C10H14N4O2/c1-6-4-12-10(15-6)7(2)11-5-9-14-13-8(3)16-9/h4,7,11H,5H2,1-3H3
InChIKeyRLCZWLXROFVVAC-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.53
Rot. Bonds4

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

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (PubChem CID 104579734) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
PubChem CID104579734
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2nnc(C)o2)o1
InChIInChI=1S/C10H14N4O2/c1-6-4-12-10(15-6)7(2)11-5-9-14-13-8(3)16-9/h4,7,11H,5H2,1-3H3
InChIKeyRLCZWLXROFVVAC-UHFFFAOYSA-N
XLogP1.53
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (CID 104579734) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is Cc1cnc(C(C)NCc2nnc(C)o2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The InChIKey is RLCZWLXROFVVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6-4-12-10(15-6)7(2)11-5-9-14-13-8(3)16-9/h4,7,11H,5H2,1-3H3.
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine has a molecular weight of 222.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is sourced from PubChem (CID 104579734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).