[2-(1,3-oxazol-5-yl)pyrrolidin-3-yl]methanamine

C8H13N3O — CID 82413741

IUPAC[2-(1,3-oxazol-5-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCNC1c1cnco1
InChIInChI=1S/C8H13N3O/c9-3-6-1-2-11-8(6)7-4-10-5-12-7/h4-6,8,11H,1-3,9H2
InChIKeyFXAJKPHYKKWPLF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.28
Rot. Bonds2

About [2-(1,3-oxazol-5-yl)pyrrolidin-3-yl]methanamine

[2-(1,3-oxazol-5-yl)pyrrolidin-3-yl]methanamine (PubChem CID 82413741) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is [2-(1,3-oxazol-5-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(1,3-oxazol-5-yl)pyrrolidin-3-yl]methanamine
PubChem CID82413741
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name[2-(1,3-oxazol-5-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCNC1c1cnco1
InChIInChI=1S/C8H13N3O/c9-3-6-1-2-11-8(6)7-4-10-5-12-7/h4-6,8,11H,1-3,9H2
InChIKeyFXAJKPHYKKWPLF-UHFFFAOYSA-N
XLogP0.28
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-oxazol-5-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [2-(1,3-oxazol-5-yl)pyrrolidin-3-yl]methanamine (CID 82413741) is [2-(1,3-oxazol-5-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [2-(1,3-oxazol-5-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [2-(1,3-oxazol-5-yl)pyrrolidin-3-yl]methanamine is NCC1CCNC1c1cnco1.
What is the InChIKey of [2-(1,3-oxazol-5-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is FXAJKPHYKKWPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-3-6-1-2-11-8(6)7-4-10-5-12-7/h4-6,8,11H,1-3,9H2.
What are the key properties of [2-(1,3-oxazol-5-yl)pyrrolidin-3-yl]methanamine?
[2-(1,3-oxazol-5-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 167.21 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-oxazol-5-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 82413741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).