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

C16H23N5O — CID 97008112

IUPAC(3R)-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cnc(CN(Cc2ncc(C)o2)[C@@H]2CCN(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/t15-/m1/s1
InChIKeyCLPRXECNZYDGCQ-OAHLLOKOSA-N
MW301.39 g/mol
LogP1.79
Rot. Bonds5

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

(3R)-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 97008112) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (3R)-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
PubChem CID97008112
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(3R)-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cnc(CN(Cc2ncc(C)o2)[C@@H]2CCN(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/t15-/m1/s1
InChIKeyCLPRXECNZYDGCQ-OAHLLOKOSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine (CID 97008112) is (3R)-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 (3R)-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-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)[C@@H]2CCN(C)C2)cn1.
What is the InChIKey of (3R)-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is CLPRXECNZYDGCQ-OAHLLOKOSA-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/t15-/m1/s1.
What are the key properties of (3R)-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
(3R)-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 (3R)-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 97008112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).