N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

C14H20ClN3OS — CID 119921861

IUPACN-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCN(Cc2cc(-c3cccs3)on2)C1.Cl
InChIInChI=1S/C14H19N3OS.ClH/c1-15-8-11-4-5-17(9-11)10-12-7-13(18-16-12)14-3-2-6-19-14;/h2-3,6-7,11,15H,4-5,8-10H2,1H3;1H
InChIKeyIZJGYLMPKYQVPZ-UHFFFAOYSA-N
MW313.85 g/mol
LogP2.87
Rot. Bonds5

About N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119921861) has the molecular formula C14H20ClN3OS and a molecular weight of 313.85 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119921861
Molecular FormulaC14H20ClN3OS
Molecular Weight313.85 g/mol
Exact Mass313.10
IUPAC NameN-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCN(Cc2cc(-c3cccs3)on2)C1.Cl
InChIInChI=1S/C14H19N3OS.ClH/c1-15-8-11-4-5-17(9-11)10-12-7-13(18-16-12)14-3-2-6-19-14;/h2-3,6-7,11,15H,4-5,8-10H2,1H3;1H
InChIKeyIZJGYLMPKYQVPZ-UHFFFAOYSA-N
XLogP2.87
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 119921861) is N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is CNCC1CCN(Cc2cc(-c3cccs3)on2)C1.Cl.
What is the InChIKey of N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is IZJGYLMPKYQVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS.ClH/c1-15-8-11-4-5-17(9-11)10-12-7-13(18-16-12)14-3-2-6-19-14;/h2-3,6-7,11,15H,4-5,8-10H2,1H3;1H.
What are the key properties of N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 313.85 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119921861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).