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

C16H22N4O3 — CID 75373805

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(Cc2cc(C)on2)C1
InChIInChI=1S/C16H22N4O3/c1-11-6-14(18-23-11)8-19-5-4-15(9-19)20(13(3)21)10-16-17-7-12(2)22-16/h6-7,15H,4-5,8-10H2,1-3H3
InChIKeyCPSSMIZWNLOTKY-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.90
Rot. Bonds5

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 75373805) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID75373805
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(Cc2cc(C)on2)C1
InChIInChI=1S/C16H22N4O3/c1-11-6-14(18-23-11)8-19-5-4-15(9-19)20(13(3)21)10-16-17-7-12(2)22-16/h6-7,15H,4-5,8-10H2,1-3H3
InChIKeyCPSSMIZWNLOTKY-UHFFFAOYSA-N
XLogP1.90
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.90
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-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide (CID 75373805) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide is CC(=O)N(Cc1ncc(C)o1)C1CCN(Cc2cc(C)on2)C1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is CPSSMIZWNLOTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11-6-14(18-23-11)8-19-5-4-15(9-19)20(13(3)21)10-16-17-7-12(2)22-16/h6-7,15H,4-5,8-10H2,1-3H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 1.90, 5 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-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 75373805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).