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

C22H18ClFN4O2 — CID 71453138

IUPACN-[[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1cc(-c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C22H18ClFN4O2/c23-18-11-15(7-9-19(18)24)20-12-17(30-28-20)13-26-21(29)5-1-4-16-8-6-14-3-2-10-25-22(14)27-16/h2-3,6-12H,1,4-5,13H2,(H,26,29)
InChIKeySGJQNINMCWELAW-UHFFFAOYSA-N
MW424.86 g/mol
LogP4.72
Rot. Bonds7

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

N-[[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (PubChem CID 71453138) has the molecular formula C22H18ClFN4O2 and a molecular weight of 424.86 g/mol. Its IUPAC name is N-[[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.

Molecular Properties

Compound NameN-[[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
PubChem CID71453138
Molecular FormulaC22H18ClFN4O2
Molecular Weight424.86 g/mol
Exact Mass424.11
IUPAC NameN-[[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1cc(-c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C22H18ClFN4O2/c23-18-11-15(7-9-19(18)24)20-12-17(30-28-20)13-26-21(29)5-1-4-16-8-6-14-3-2-10-25-22(14)27-16/h2-3,6-12H,1,4-5,13H2,(H,26,29)
InChIKeySGJQNINMCWELAW-UHFFFAOYSA-N
XLogP4.72
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The IUPAC name of N-[[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (CID 71453138) is N-[[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.
What is the SMILES notation for N-[[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The canonical SMILES for N-[[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is O=C(CCCc1ccc2cccnc2n1)NCc1cc(-c2ccc(F)c(Cl)c2)no1.
What is the InChIKey of N-[[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The InChIKey is SGJQNINMCWELAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O2/c23-18-11-15(7-9-19(18)24)20-12-17(30-28-20)13-26-21(29)5-1-4-16-8-6-14-3-2-10-25-22(14)27-16/h2-3,6-12H,1,4-5,13H2,(H,26,29).
What are the key properties of N-[[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
N-[[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide has a molecular weight of 424.86 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is sourced from PubChem (CID 71453138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).