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

C17H22N4O2 — CID 71928369

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(Cc2cccnc2)C1
InChIInChI=1S/C17H22N4O2/c1-13-8-19-17(23-13)12-21(14(2)22)16-5-7-20(11-16)10-15-4-3-6-18-9-15/h3-4,6,8-9,16H,5,7,10-12H2,1-2H3
InChIKeyQJAYYHZOSMOIRB-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.00
Rot. Bonds5

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide (PubChem CID 71928369) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
PubChem CID71928369
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(Cc2cccnc2)C1
InChIInChI=1S/C17H22N4O2/c1-13-8-19-17(23-13)12-21(14(2)22)16-5-7-20(11-16)10-15-4-3-6-18-9-15/h3-4,6,8-9,16H,5,7,10-12H2,1-2H3
InChIKeyQJAYYHZOSMOIRB-UHFFFAOYSA-N
XLogP2.00
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide (CID 71928369) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide is CC(=O)N(Cc1ncc(C)o1)C1CCN(Cc2cccnc2)C1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is QJAYYHZOSMOIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-8-19-17(23-13)12-21(14(2)22)16-5-7-20(11-16)10-15-4-3-6-18-9-15/h3-4,6,8-9,16H,5,7,10-12H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71928369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).