4-[3-methyl-3-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]azetidin-1-yl]-1H-1,8-naphthyridin-2-one

C19H21N5O3 — CID 167909206

IUPAC4-[3-methyl-3-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]azetidin-1-yl]-1H-1,8-naphthyridin-2-one
SMILESCC1(c2nnc(C3CCOCC3)o2)CN(c2cc(=O)[nH]c3ncccc23)C1
InChIInChI=1S/C19H21N5O3/c1-19(18-23-22-17(27-18)12-4-7-26-8-5-12)10-24(11-19)14-9-15(25)21-16-13(14)3-2-6-20-16/h2-3,6,9,12H,4-5,7-8,10-11H2,1H3,(H,20,21,25)
InChIKeyVNEKVBMSKKPCOV-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.98
Rot. Bonds3

About 4-[3-methyl-3-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]azetidin-1-yl]-1H-1,8-naphthyridin-2-one

4-[3-methyl-3-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]azetidin-1-yl]-1H-1,8-naphthyridin-2-one (PubChem CID 167909206) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[3-methyl-3-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]azetidin-1-yl]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-[3-methyl-3-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]azetidin-1-yl]-1H-1,8-naphthyridin-2-one
PubChem CID167909206
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name4-[3-methyl-3-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]azetidin-1-yl]-1H-1,8-naphthyridin-2-one
SMILESCC1(c2nnc(C3CCOCC3)o2)CN(c2cc(=O)[nH]c3ncccc23)C1
InChIInChI=1S/C19H21N5O3/c1-19(18-23-22-17(27-18)12-4-7-26-8-5-12)10-24(11-19)14-9-15(25)21-16-13(14)3-2-6-20-16/h2-3,6,9,12H,4-5,7-8,10-11H2,1H3,(H,20,21,25)
InChIKeyVNEKVBMSKKPCOV-UHFFFAOYSA-N
XLogP1.98
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-3-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]azetidin-1-yl]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 4-[3-methyl-3-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]azetidin-1-yl]-1H-1,8-naphthyridin-2-one (CID 167909206) is 4-[3-methyl-3-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]azetidin-1-yl]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-[3-methyl-3-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]azetidin-1-yl]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 4-[3-methyl-3-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]azetidin-1-yl]-1H-1,8-naphthyridin-2-one is CC1(c2nnc(C3CCOCC3)o2)CN(c2cc(=O)[nH]c3ncccc23)C1.
What is the InChIKey of 4-[3-methyl-3-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]azetidin-1-yl]-1H-1,8-naphthyridin-2-one?
The InChIKey is VNEKVBMSKKPCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-19(18-23-22-17(27-18)12-4-7-26-8-5-12)10-24(11-19)14-9-15(25)21-16-13(14)3-2-6-20-16/h2-3,6,9,12H,4-5,7-8,10-11H2,1H3,(H,20,21,25).
What are the key properties of 4-[3-methyl-3-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]azetidin-1-yl]-1H-1,8-naphthyridin-2-one?
4-[3-methyl-3-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]azetidin-1-yl]-1H-1,8-naphthyridin-2-one has a molecular weight of 367.41 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-3-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]azetidin-1-yl]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 167909206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).