6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one

C18H12ClN3O2 — CID 135471215

IUPAC6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)c3cc(Cl)cnc3[nH]c2=O)on1
InChIInChI=1S/C18H12ClN3O2/c1-10-7-14(24-22-10)16-15(11-5-3-2-4-6-11)13-8-12(19)9-20-17(13)21-18(16)23/h2-9H,1H3,(H,20,21,23)
InChIKeyBYBZEZJUTDVCPK-UHFFFAOYSA-N
MW337.77 g/mol
LogP4.21
Rot. Bonds2

About 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one

6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one (PubChem CID 135471215) has the molecular formula C18H12ClN3O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one
PubChem CID135471215
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)c3cc(Cl)cnc3[nH]c2=O)on1
InChIInChI=1S/C18H12ClN3O2/c1-10-7-14(24-22-10)16-15(11-5-3-2-4-6-11)13-8-12(19)9-20-17(13)21-18(16)23/h2-9H,1H3,(H,20,21,23)
InChIKeyBYBZEZJUTDVCPK-UHFFFAOYSA-N
XLogP4.21
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropyridin-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1363764
3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-4-isoxazolecarboxamide
CID 741178
3-(2-chlorophenyl)-5-methyl-N-(4-methylpyridin-2-yl)-1,2-oxazole-4-carboxamide
CID 798822
3,5-dimethyl-N-2-pyridinyl-4-isoxazolecarboxamide
CID 1244041
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-naphthyridin-2-one
CID 135497054
N-(5-chloropyridin-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 700866
3-(2-chlorophenyl)-N-(5-chloropyridin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 743807
N-[6-(acetylamino)-3-pyridinyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 2813211
3-(2-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 626045
5-methyl-N-(5-methyl-2-pyridinyl)-3-phenyl-4-isoxazolecarboxamide
CID 868950
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-yl-1H-quinolin-2-one
CID 135458175
3-(2-chlorophenyl)-5-methyl-N-(5-methylpyridin-2-yl)-1,2-oxazole-4-carboxamide
CID 743805

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one (CID 135471215) is 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one is Cc1cc(-c2c(-c3ccccc3)c3cc(Cl)cnc3[nH]c2=O)on1.
What is the InChIKey of 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one?
The InChIKey is BYBZEZJUTDVCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c1-10-7-14(24-22-10)16-15(11-5-3-2-4-6-11)13-8-12(19)9-20-17(13)21-18(16)23/h2-9H,1H3,(H,20,21,23).
What are the key properties of 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one?
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one has a molecular weight of 337.77 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 135471215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).