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

C12H19N3O3 — CID 66246873

IUPACN-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCNC1COCC1c1nc(C2CCCO2)no1
InChIInChI=1S/C12H19N3O3/c1-2-13-9-7-16-6-8(9)12-14-11(15-18-12)10-4-3-5-17-10/h8-10,13H,2-7H2,1H3
InChIKeyOMAKEYWCIFXRCF-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.01
Rot. Bonds4

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

N-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 66246873) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID66246873
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCNC1COCC1c1nc(C2CCCO2)no1
InChIInChI=1S/C12H19N3O3/c1-2-13-9-7-16-6-8(9)12-14-11(15-18-12)10-4-3-5-17-10/h8-10,13H,2-7H2,1H3
InChIKeyOMAKEYWCIFXRCF-UHFFFAOYSA-N
XLogP1.01
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66253458
N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66266076
N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 66248052
N-ethyl-4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200739
N-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 79953397
N-cyclopropyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102791065
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65328340
4-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyloxolan-3-amine
CID 66246266
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine
CID 66237641
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-N-ethylcyclohexan-1-amine
CID 65424411
N-ethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66245091
N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474605

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of N-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 66246873) is N-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for N-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CCNC1COCC1c1nc(C2CCCO2)no1.
What is the InChIKey of N-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is OMAKEYWCIFXRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-13-9-7-16-6-8(9)12-14-11(15-18-12)10-4-3-5-17-10/h8-10,13H,2-7H2,1H3.
What are the key properties of N-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
N-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 253.30 g/mol, XLogP of 1.01, 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-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 66246873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).