3-(3-methylpyrrolidin-3-yl)-1,2-oxazol-5-amine

C8H13N3O — CID 115013280

IUPAC3-(3-methylpyrrolidin-3-yl)-1,2-oxazol-5-amine
SMILESCC1(c2cc(N)on2)CCNC1
InChIInChI=1S/C8H13N3O/c1-8(2-3-10-5-8)6-4-7(9)12-11-6/h4,10H,2-3,5,9H2,1H3
InChIKeyPJQJXNAVLWFDHK-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.51
Rot. Bonds1

About 3-(3-methylpyrrolidin-3-yl)-1,2-oxazol-5-amine

3-(3-methylpyrrolidin-3-yl)-1,2-oxazol-5-amine (PubChem CID 115013280) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(3-methylpyrrolidin-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-methylpyrrolidin-3-yl)-1,2-oxazol-5-amine
PubChem CID115013280
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(3-methylpyrrolidin-3-yl)-1,2-oxazol-5-amine
SMILESCC1(c2cc(N)on2)CCNC1
InChIInChI=1S/C8H13N3O/c1-8(2-3-10-5-8)6-4-7(9)12-11-6/h4,10H,2-3,5,9H2,1H3
InChIKeyPJQJXNAVLWFDHK-UHFFFAOYSA-N
XLogP0.51
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrrolidin-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-methylpyrrolidin-3-yl)-1,2-oxazol-5-amine (CID 115013280) is 3-(3-methylpyrrolidin-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-methylpyrrolidin-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-methylpyrrolidin-3-yl)-1,2-oxazol-5-amine is CC1(c2cc(N)on2)CCNC1.
What is the InChIKey of 3-(3-methylpyrrolidin-3-yl)-1,2-oxazol-5-amine?
The InChIKey is PJQJXNAVLWFDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(2-3-10-5-8)6-4-7(9)12-11-6/h4,10H,2-3,5,9H2,1H3.
What are the key properties of 3-(3-methylpyrrolidin-3-yl)-1,2-oxazol-5-amine?
3-(3-methylpyrrolidin-3-yl)-1,2-oxazol-5-amine has a molecular weight of 167.21 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrrolidin-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 115013280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).