6-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one

C17H11ClN4O2 — CID 72847701

IUPAC6-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one
SMILESO=c1c2cccnc2ccn1Cc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C17H11ClN4O2/c18-13-6-2-1-4-11(13)16-20-15(24-21-16)10-22-9-7-14-12(17(22)23)5-3-8-19-14/h1-9H,10H2
InChIKeyIABLRURWRSORSP-UHFFFAOYSA-N
MW338.75 g/mol
LogP3.15
Rot. Bonds3

About 6-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one

6-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one (PubChem CID 72847701) has the molecular formula C17H11ClN4O2 and a molecular weight of 338.75 g/mol. Its IUPAC name is 6-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one
PubChem CID72847701
Molecular FormulaC17H11ClN4O2
Molecular Weight338.75 g/mol
Exact Mass338.06
IUPAC Name6-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one
SMILESO=c1c2cccnc2ccn1Cc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C17H11ClN4O2/c18-13-6-2-1-4-11(13)16-20-15(24-21-16)10-22-9-7-14-12(17(22)23)5-3-8-19-14/h1-9H,10H2
InChIKeyIABLRURWRSORSP-UHFFFAOYSA-N
XLogP3.15
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one
CID 72941227
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345476
6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one
CID 149496879
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
CID 65250028
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 154570489
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72859179
3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 56801915
6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
CID 39820468
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97058177
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740466
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 9138081

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one?
The IUPAC name of 6-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one (CID 72847701) is 6-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one is O=c1c2cccnc2ccn1Cc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 6-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one?
The InChIKey is IABLRURWRSORSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2/c18-13-6-2-1-4-11(13)16-20-15(24-21-16)10-22-9-7-14-12(17(22)23)5-3-8-19-14/h1-9H,10H2.
What are the key properties of 6-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one?
6-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one has a molecular weight of 338.75 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one is sourced from PubChem (CID 72847701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).