N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide

C17H25N5O2 — CID 71872515

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(CCc2cnn(C)c2)C1
InChIInChI=1S/C17H25N5O2/c1-13-8-18-17(24-13)12-22(14(2)23)16-5-7-21(11-16)6-4-15-9-19-20(3)10-15/h8-10,16H,4-7,11-12H2,1-3H3
InChIKeyLIFJFZWYTZHHNH-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.38
Rot. Bonds6

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide (PubChem CID 71872515) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide
PubChem CID71872515
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(CCc2cnn(C)c2)C1
InChIInChI=1S/C17H25N5O2/c1-13-8-18-17(24-13)12-22(14(2)23)16-5-7-21(11-16)6-4-15-9-19-20(3)10-15/h8-10,16H,4-7,11-12H2,1-3H3
InChIKeyLIFJFZWYTZHHNH-UHFFFAOYSA-N
XLogP1.38
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide (CID 71872515) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide is CC(=O)N(Cc1ncc(C)o1)C1CCN(CCc2cnn(C)c2)C1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide?
The InChIKey is LIFJFZWYTZHHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-13-8-18-17(24-13)12-22(14(2)23)16-5-7-21(11-16)6-4-15-9-19-20(3)10-15/h8-10,16H,4-7,11-12H2,1-3H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71872515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).