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

C13H18N4O2 — CID 136984474

IUPACN-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCCNC1COCC1c1nc(-c2ccc[nH]2)no1
InChIInChI=1S/C13H18N4O2/c1-2-5-14-11-8-18-7-9(11)13-16-12(17-19-13)10-4-3-6-15-10/h3-4,6,9,11,14-15H,2,5,7-8H2,1H3
InChIKeyWIWSQOLMOVDBLA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.55
Rot. Bonds5

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

N-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 136984474) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound NameN-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID136984474
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCCNC1COCC1c1nc(-c2ccc[nH]2)no1
InChIInChI=1S/C13H18N4O2/c1-2-5-14-11-8-18-7-9(11)13-16-12(17-19-13)10-4-3-6-15-10/h3-4,6,9,11,14-15H,2,5,7-8H2,1H3
InChIKeyWIWSQOLMOVDBLA-UHFFFAOYSA-N
XLogP1.55
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of N-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 136984474) is N-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for N-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for N-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CCCNC1COCC1c1nc(-c2ccc[nH]2)no1.
What is the InChIKey of N-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is WIWSQOLMOVDBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-5-14-11-8-18-7-9(11)13-16-12(17-19-13)10-4-3-6-15-10/h3-4,6,9,11,14-15H,2,5,7-8H2,1H3.
What are the key properties of N-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
N-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 262.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 136984474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).