N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide

C22H19ClN4O2 — CID 71449520

IUPACN-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1cc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C22H19ClN4O2/c23-17-6-1-4-16(12-17)20-13-19(29-27-20)14-25-21(28)8-2-7-18-10-9-15-5-3-11-24-22(15)26-18/h1,3-6,9-13H,2,7-8,14H2,(H,25,28)
InChIKeyPRZAETCRIPFGSL-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.58
Rot. Bonds7

About N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide

N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (PubChem CID 71449520) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
PubChem CID71449520
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC NameN-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1cc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C22H19ClN4O2/c23-17-6-1-4-16(12-17)20-13-19(29-27-20)14-25-21(28)8-2-7-18-10-9-15-5-3-11-24-22(15)26-18/h1,3-6,9-13H,2,7-8,14H2,(H,25,28)
InChIKeyPRZAETCRIPFGSL-UHFFFAOYSA-N
XLogP4.58
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The IUPAC name of N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (CID 71449520) is N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The canonical SMILES for N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is O=C(CCCc1ccc2cccnc2n1)NCc1cc(-c2cccc(Cl)c2)no1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The InChIKey is PRZAETCRIPFGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c23-17-6-1-4-16(12-17)20-13-19(29-27-20)14-25-21(28)8-2-7-18-10-9-15-5-3-11-24-22(15)26-18/h1,3-6,9-13H,2,7-8,14H2,(H,25,28).
What are the key properties of N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide has a molecular weight of 406.87 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is sourced from PubChem (CID 71449520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).