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

C14H18N4O2 — CID 66245091

IUPACN-ethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCNC1COCC1c1nc(-c2cc(C)ccn2)no1
InChIInChI=1S/C14H18N4O2/c1-3-15-12-8-19-7-10(12)14-17-13(18-20-14)11-6-9(2)4-5-16-11/h4-6,10,12,15H,3,7-8H2,1-2H3
InChIKeyZCQLAIQKMMMCHT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.53
Rot. Bonds4

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

N-ethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 66245091) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-ethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID66245091
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-ethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCNC1COCC1c1nc(-c2cc(C)ccn2)no1
InChIInChI=1S/C14H18N4O2/c1-3-15-12-8-19-7-10(12)14-17-13(18-20-14)11-6-9(2)4-5-16-11/h4-6,10,12,15H,3,7-8H2,1-2H3
InChIKeyZCQLAIQKMMMCHT-UHFFFAOYSA-N
XLogP1.53
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
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-ethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of N-ethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 66245091) is N-ethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for N-ethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CCNC1COCC1c1nc(-c2cc(C)ccn2)no1.
What is the InChIKey of N-ethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is ZCQLAIQKMMMCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-15-12-8-19-7-10(12)14-17-13(18-20-14)11-6-9(2)4-5-16-11/h4-6,10,12,15H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
N-ethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 274.32 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-ethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 66245091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).