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

C14H23N3O2 — CID 56758529

IUPACN-[[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2cc(C(C)C)no2)C1
InChIInChI=1S/C14H23N3O2/c1-10(2)14-6-13(19-16-14)9-17-5-4-12(8-17)7-15-11(3)18/h6,10,12H,4-5,7-9H2,1-3H3,(H,15,18)
InChIKeyKQBBNSXOQBOCMY-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.76
Rot. Bonds5

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

N-[[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide (PubChem CID 56758529) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
PubChem CID56758529
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2cc(C(C)C)no2)C1
InChIInChI=1S/C14H23N3O2/c1-10(2)14-6-13(19-16-14)9-17-5-4-12(8-17)7-15-11(3)18/h6,10,12H,4-5,7-9H2,1-3H3,(H,15,18)
InChIKeyKQBBNSXOQBOCMY-UHFFFAOYSA-N
XLogP1.76
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide (CID 56758529) is N-[[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide is CC(=O)NCC1CCN(Cc2cc(C(C)C)no2)C1.
What is the InChIKey of N-[[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is KQBBNSXOQBOCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)14-6-13(19-16-14)9-17-5-4-12(8-17)7-15-11(3)18/h6,10,12H,4-5,7-9H2,1-3H3,(H,15,18).
What are the key properties of N-[[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
N-[[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 56758529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).