4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine

C8H13N3O — CID 117190893

IUPAC4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine
SMILESNc1nc(CN2CCCC2)co1
InChIInChI=1S/C8H13N3O/c9-8-10-7(6-12-8)5-11-3-1-2-4-11/h6H,1-5H2,(H2,9,10)
InChIKeyPVSNCVPQASQXDJ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.85
Rot. Bonds2

About 4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine

4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine (PubChem CID 117190893) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine
PubChem CID117190893
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine
SMILESNc1nc(CN2CCCC2)co1
InChIInChI=1S/C8H13N3O/c9-8-10-7(6-12-8)5-11-3-1-2-4-11/h6H,1-5H2,(H2,9,10)
InChIKeyPVSNCVPQASQXDJ-UHFFFAOYSA-N
XLogP0.85
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine?
The IUPAC name of 4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine (CID 117190893) is 4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine?
The canonical SMILES for 4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine is Nc1nc(CN2CCCC2)co1.
What is the InChIKey of 4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine?
The InChIKey is PVSNCVPQASQXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-8-10-7(6-12-8)5-11-3-1-2-4-11/h6H,1-5H2,(H2,9,10).
What are the key properties of 4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine?
4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine has a molecular weight of 167.21 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 117190893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).