1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine

C13H23N3O — CID 55164393

IUPAC1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
SMILESCCCC1(CNCc2cc(C)no2)CCNC1
InChIInChI=1S/C13H23N3O/c1-3-4-13(5-6-14-9-13)10-15-8-12-7-11(2)16-17-12/h7,14-15H,3-6,8-10H2,1-2H3
InChIKeyQQIKNGVFVHIDLV-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.85
Rot. Bonds6

About 1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine

1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine (PubChem CID 55164393) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
PubChem CID55164393
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
SMILESCCCC1(CNCc2cc(C)no2)CCNC1
InChIInChI=1S/C13H23N3O/c1-3-4-13(5-6-14-9-13)10-15-8-12-7-11(2)16-17-12/h7,14-15H,3-6,8-10H2,1-2H3
InChIKeyQQIKNGVFVHIDLV-UHFFFAOYSA-N
XLogP1.85
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine (CID 55164393) is 1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine is CCCC1(CNCc2cc(C)no2)CCNC1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
The InChIKey is QQIKNGVFVHIDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-4-13(5-6-14-9-13)10-15-8-12-7-11(2)16-17-12/h7,14-15H,3-6,8-10H2,1-2H3.
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine is sourced from PubChem (CID 55164393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).