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

C13H23N3O2 — CID 103931537

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine
SMILESCc1nc(CCNC2CCOC(C(C)C)C2)no1
InChIInChI=1S/C13H23N3O2/c1-9(2)12-8-11(5-7-17-12)14-6-4-13-15-10(3)18-16-13/h9,11-12,14H,4-8H2,1-3H3
InChIKeyHKWKUVSXRFMMJG-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.71
Rot. Bonds5

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

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine (PubChem CID 103931537) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine
PubChem CID103931537
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine
SMILESCc1nc(CCNC2CCOC(C(C)C)C2)no1
InChIInChI=1S/C13H23N3O2/c1-9(2)12-8-11(5-7-17-12)14-6-4-13-15-10(3)18-16-13/h9,11-12,14H,4-8H2,1-3H3
InChIKeyHKWKUVSXRFMMJG-UHFFFAOYSA-N
XLogP1.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 103698869
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
CID 103698868
4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 113243071
4-tert-butyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103698883
N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine
CID 103930680
5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol
CID 107302829
2,6-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931580
N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 103930663
N-(2-cyclopropylpropyl)-2-propan-2-yloxan-4-amine
CID 115914476
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931523
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 103748222
2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate
CID 83209461

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine (CID 103931537) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine is Cc1nc(CCNC2CCOC(C(C)C)C2)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine?
The InChIKey is HKWKUVSXRFMMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)12-8-11(5-7-17-12)14-6-4-13-15-10(3)18-16-13/h9,11-12,14H,4-8H2,1-3H3.
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine has a molecular weight of 253.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine is sourced from PubChem (CID 103931537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).