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

C9H15N3O2 — CID 130666251

IUPACN-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESCCNC1(c2nc(C)no2)CCOC1
InChIInChI=1S/C9H15N3O2/c1-3-10-9(4-5-13-6-9)8-11-7(2)12-14-8/h10H,3-6H2,1-2H3
InChIKeyJXDPCOZFXZVHOP-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.60
Rot. Bonds3

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

N-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (PubChem CID 130666251) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
PubChem CID130666251
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESCCNC1(c2nc(C)no2)CCOC1
InChIInChI=1S/C9H15N3O2/c1-3-10-9(4-5-13-6-9)8-11-7(2)12-14-8/h10H,3-6H2,1-2H3
InChIKeyJXDPCOZFXZVHOP-UHFFFAOYSA-N
XLogP0.60
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 167909104
N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide
CID 155960657
1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine
CID 129286690
5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole
CID 153246826
1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-ol
CID 130742055
1-(2-ethylquinolin-4-yl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea
CID 146109489
3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid
CID 82406840
methyl 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 79733482
6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 113482400
5-(3-aminooxolan-3-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791400
4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 115292520
N-[(4-hydroxyoxan-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 79039524

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The IUPAC name of N-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (CID 130666251) is N-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.
What is the SMILES notation for N-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The canonical SMILES for N-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is CCNC1(c2nc(C)no2)CCOC1.
What is the InChIKey of N-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The InChIKey is JXDPCOZFXZVHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-10-9(4-5-13-6-9)8-11-7(2)12-14-8/h10H,3-6H2,1-2H3.
What are the key properties of N-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
N-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine has a molecular weight of 197.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is sourced from PubChem (CID 130666251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).