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

C10H19N3O — CID 97184939

IUPAC(2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
SMILESCCc1noc(CN[C@H](C)C(C)C)n1
InChIInChI=1S/C10H19N3O/c1-5-9-12-10(14-13-9)6-11-8(4)7(2)3/h7-8,11H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyIANYIZNWONMDPC-MRVPVSSYSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds5

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

(2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine (PubChem CID 97184939) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
PubChem CID97184939
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
SMILESCCc1noc(CN[C@H](C)C(C)C)n1
InChIInChI=1S/C10H19N3O/c1-5-9-12-10(14-13-9)6-11-8(4)7(2)3/h7-8,11H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyIANYIZNWONMDPC-MRVPVSSYSA-N
XLogP1.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine?
The IUPAC name of (2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine (CID 97184939) is (2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine.
What is the SMILES notation for (2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine?
The canonical SMILES for (2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine is CCc1noc(CN[C@H](C)C(C)C)n1.
What is the InChIKey of (2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine?
The InChIKey is IANYIZNWONMDPC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-9-12-10(14-13-9)6-11-8(4)7(2)3/h7-8,11H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of (2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine?
(2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine has a molecular weight of 197.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 97184939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).