1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine

C16H23N5O — CID 71927236

IUPAC1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cnc(CN(Cc2ncc(C)o2)C2CCN(C)C2)cn1
InChIInChI=1S/C16H23N5O/c1-12-6-18-14(8-17-12)9-21(15-4-5-20(3)10-15)11-16-19-7-13(2)22-16/h6-8,15H,4-5,9-11H2,1-3H3
InChIKeyCLPRXECNZYDGCQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.79
Rot. Bonds5

About 1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine

1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 71927236) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
PubChem CID71927236
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cnc(CN(Cc2ncc(C)o2)C2CCN(C)C2)cn1
InChIInChI=1S/C16H23N5O/c1-12-6-18-14(8-17-12)9-21(15-4-5-20(3)10-15)11-16-19-7-13(2)22-16/h6-8,15H,4-5,9-11H2,1-3H3
InChIKeyCLPRXECNZYDGCQ-UHFFFAOYSA-N
XLogP1.79
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine (CID 71927236) is 1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine is Cc1cnc(CN(Cc2ncc(C)o2)C2CCN(C)C2)cn1.
What is the InChIKey of 1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is CLPRXECNZYDGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-6-18-14(8-17-12)9-21(15-4-5-20(3)10-15)11-16-19-7-13(2)22-16/h6-8,15H,4-5,9-11H2,1-3H3.
What are the key properties of 1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 301.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71927236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).