5-(2-aminoethyl)-N-[(2-methyloxolan-2-yl)methyl]-1,3,4-oxadiazol-2-amine

C10H18N4O2 — CID 106963519

IUPAC5-(2-aminoethyl)-N-[(2-methyloxolan-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC1(CNc2nnc(CCN)o2)CCCO1
InChIInChI=1S/C10H18N4O2/c1-10(4-2-6-15-10)7-12-9-14-13-8(16-9)3-5-11/h2-7,11H2,1H3,(H,12,14)
InChIKeyNPHGDDSEQZRVQX-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.55
Rot. Bonds5

About 5-(2-aminoethyl)-N-[(2-methyloxolan-2-yl)methyl]-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-[(2-methyloxolan-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106963519) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[(2-methyloxolan-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[(2-methyloxolan-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106963519
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-(2-aminoethyl)-N-[(2-methyloxolan-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC1(CNc2nnc(CCN)o2)CCCO1
InChIInChI=1S/C10H18N4O2/c1-10(4-2-6-15-10)7-12-9-14-13-8(16-9)3-5-11/h2-7,11H2,1H3,(H,12,14)
InChIKeyNPHGDDSEQZRVQX-UHFFFAOYSA-N
XLogP0.55
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[(2-methyloxolan-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-[(2-methyloxolan-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 106963519) is 5-(2-aminoethyl)-N-[(2-methyloxolan-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-[(2-methyloxolan-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-[(2-methyloxolan-2-yl)methyl]-1,3,4-oxadiazol-2-amine is CC1(CNc2nnc(CCN)o2)CCCO1.
What is the InChIKey of 5-(2-aminoethyl)-N-[(2-methyloxolan-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is NPHGDDSEQZRVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(4-2-6-15-10)7-12-9-14-13-8(16-9)3-5-11/h2-7,11H2,1H3,(H,12,14).
What are the key properties of 5-(2-aminoethyl)-N-[(2-methyloxolan-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-[(2-methyloxolan-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 226.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[(2-methyloxolan-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).