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

C11H17N5O2 — CID 106379118

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1cnc(CNc2nnc(C(C)NC)o2)o1
InChIInChI=1S/C11H17N5O2/c1-4-8-5-13-9(17-8)6-14-11-16-15-10(18-11)7(2)12-3/h5,7,12H,4,6H2,1-3H3,(H,14,16)
InChIKeyZUOGQIFPCIRPAW-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.51
Rot. Bonds6

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106379118) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106379118
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1cnc(CNc2nnc(C(C)NC)o2)o1
InChIInChI=1S/C11H17N5O2/c1-4-8-5-13-9(17-8)6-14-11-16-15-10(18-11)7(2)12-3/h5,7,12H,4,6H2,1-3H3,(H,14,16)
InChIKeyZUOGQIFPCIRPAW-UHFFFAOYSA-N
XLogP1.51
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106379118) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCc1cnc(CNc2nnc(C(C)NC)o2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ZUOGQIFPCIRPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-4-8-5-13-9(17-8)6-14-11-16-15-10(18-11)7(2)12-3/h5,7,12H,4,6H2,1-3H3,(H,14,16).
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 251.29 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106379118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).