2-[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C17H25N5O3 — CID 96512210

IUPAC2-[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCCc1cnc(CN(C)[C@@H]2CCN(CC(=O)Nc3cc(C)no3)C2)o1
InChIInChI=1S/C17H25N5O3/c1-4-14-8-18-17(24-14)11-21(3)13-5-6-22(9-13)10-15(23)19-16-7-12(2)20-25-16/h7-8,13H,4-6,9-11H2,1-3H3,(H,19,23)/t13-/m1/s1
InChIKeySVRLJWHBMSPMBE-CYBMUJFWSA-N
MW347.42 g/mol
LogP1.68
Rot. Bonds7

About 2-[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 96512210) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID96512210
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name2-[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCCc1cnc(CN(C)[C@@H]2CCN(CC(=O)Nc3cc(C)no3)C2)o1
InChIInChI=1S/C17H25N5O3/c1-4-14-8-18-17(24-14)11-21(3)13-5-6-22(9-13)10-15(23)19-16-7-12(2)20-25-16/h7-8,13H,4-6,9-11H2,1-3H3,(H,19,23)/t13-/m1/s1
InChIKeySVRLJWHBMSPMBE-CYBMUJFWSA-N
XLogP1.68
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 96512210) is 2-[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is CCc1cnc(CN(C)[C@@H]2CCN(CC(=O)Nc3cc(C)no3)C2)o1.
What is the InChIKey of 2-[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is SVRLJWHBMSPMBE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-4-14-8-18-17(24-14)11-21(3)13-5-6-22(9-13)10-15(23)19-16-7-12(2)20-25-16/h7-8,13H,4-6,9-11H2,1-3H3,(H,19,23)/t13-/m1/s1.
What are the key properties of 2-[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 96512210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).