(4R)-4-[[7-(5-methyl-1,2-oxazol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one

C17H16N4O3 — CID 53340982

IUPAC(4R)-4-[[7-(5-methyl-1,2-oxazol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)no1
InChIInChI=1S/C17H16N4O3/c1-10-5-15(21-24-10)14-7-13-12(3-2-4-18-13)17(20-14)23-9-11-6-16(22)19-8-11/h2-5,7,11H,6,8-9H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyDIWUONCXNMQZFG-LLVKDONJSA-N
MW324.34 g/mol
LogP2.11
Rot. Bonds4

About (4R)-4-[[7-(5-methyl-1,2-oxazol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one

(4R)-4-[[7-(5-methyl-1,2-oxazol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 53340982) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is (4R)-4-[[7-(5-methyl-1,2-oxazol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[7-(5-methyl-1,2-oxazol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID53340982
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name(4R)-4-[[7-(5-methyl-1,2-oxazol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)no1
InChIInChI=1S/C17H16N4O3/c1-10-5-15(21-24-10)14-7-13-12(3-2-4-18-13)17(20-14)23-9-11-6-16(22)19-8-11/h2-5,7,11H,6,8-9H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyDIWUONCXNMQZFG-LLVKDONJSA-N
XLogP2.11
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[7-(5-methyl-1,2-oxazol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[[7-(5-methyl-1,2-oxazol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (CID 53340982) is (4R)-4-[[7-(5-methyl-1,2-oxazol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[7-(5-methyl-1,2-oxazol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[7-(5-methyl-1,2-oxazol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is Cc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)no1.
What is the InChIKey of (4R)-4-[[7-(5-methyl-1,2-oxazol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is DIWUONCXNMQZFG-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10-5-15(21-24-10)14-7-13-12(3-2-4-18-13)17(20-14)23-9-11-6-16(22)19-8-11/h2-5,7,11H,6,8-9H2,1H3,(H,19,22)/t11-/m1/s1.
What are the key properties of (4R)-4-[[7-(5-methyl-1,2-oxazol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
(4R)-4-[[7-(5-methyl-1,2-oxazol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 324.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[7-(5-methyl-1,2-oxazol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 53340982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).