N-methyl-N-(2-morpholin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine

C12H22N4O2 — CID 72864936

IUPACN-methyl-N-(2-morpholin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(N(C)CCN2CCOCC2)o1
InChIInChI=1S/C12H22N4O2/c1-3-4-11-13-14-12(18-11)15(2)5-6-16-7-9-17-10-8-16/h3-10H2,1-2H3
InChIKeyIVRPKBVMIRTRLM-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.79
Rot. Bonds6

About N-methyl-N-(2-morpholin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine

N-methyl-N-(2-morpholin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 72864936) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-methyl-N-(2-morpholin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-morpholin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID72864936
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-methyl-N-(2-morpholin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(N(C)CCN2CCOCC2)o1
InChIInChI=1S/C12H22N4O2/c1-3-4-11-13-14-12(18-11)15(2)5-6-16-7-9-17-10-8-16/h3-10H2,1-2H3
InChIKeyIVRPKBVMIRTRLM-UHFFFAOYSA-N
XLogP0.79
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-morpholin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-N-(2-morpholin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine (CID 72864936) is N-methyl-N-(2-morpholin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-N-(2-morpholin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-N-(2-morpholin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(N(C)CCN2CCOCC2)o1.
What is the InChIKey of N-methyl-N-(2-morpholin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is IVRPKBVMIRTRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-4-11-13-14-12(18-11)15(2)5-6-16-7-9-17-10-8-16/h3-10H2,1-2H3.
What are the key properties of N-methyl-N-(2-morpholin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine?
N-methyl-N-(2-morpholin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 254.33 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-morpholin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72864936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).