6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-naphthyridin-2-one

C18H12ClN3O2 — CID 135497054

IUPAC6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-naphthyridin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)c3cc(Cl)ncc3[nH]c2=O)on1
InChIInChI=1S/C18H12ClN3O2/c1-10-7-14(24-22-10)17-16(11-5-3-2-4-6-11)12-8-15(19)20-9-13(12)21-18(17)23/h2-9H,1H3,(H,21,23)
InChIKeyXDJZWOKADJPYOE-UHFFFAOYSA-N
MW337.77 g/mol
LogP4.21
Rot. Bonds2

About 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-naphthyridin-2-one

6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-naphthyridin-2-one (PubChem CID 135497054) 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-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-naphthyridin-2-one
PubChem CID135497054
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-naphthyridin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)c3cc(Cl)ncc3[nH]c2=O)on1
InChIInChI=1S/C18H12ClN3O2/c1-10-7-14(24-22-10)17-16(11-5-3-2-4-6-11)12-8-15(19)20-9-13(12)21-18(17)23/h2-9H,1H3,(H,21,23)
InChIKeyXDJZWOKADJPYOE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide
CID 1119204
N-(2-chloropyridin-3-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3586460
5-(4-chlorophenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 15988868
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one
CID 135471215
5-methyl-3-phenyl-N-(pyridin-3-yl)-1,2-oxazole-4-carboxamide
CID 655003
Cambridge id 6131393
CID 702091
3-(2-chlorophenyl)-5-methyl-N-(2-pyridinylmethyl)-4-isoxazolecarboxamide
CID 749183
5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 1122041
5-(4-chlorophenyl)-N-(2-chloropyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 5003875
2-[({[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}oxy)ethanimidoyl]pyrazine
CID 5883978
5-(3-chlorophenyl)-N-3-pyridinyl-3-isoxazolecarboxamide
CID 15988901
3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoropyridin-2-yl)-5-methylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 42601151

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-naphthyridin-2-one?
The IUPAC name of 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-naphthyridin-2-one (CID 135497054) is 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-naphthyridin-2-one is Cc1cc(-c2c(-c3ccccc3)c3cc(Cl)ncc3[nH]c2=O)on1.
What is the InChIKey of 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-naphthyridin-2-one?
The InChIKey is XDJZWOKADJPYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c1-10-7-14(24-22-10)17-16(11-5-3-2-4-6-11)12-8-15(19)20-9-13(12)21-18(17)23/h2-9H,1H3,(H,21,23).
What are the key properties of 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-naphthyridin-2-one?
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-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-1,7-naphthyridin-2-one is sourced from PubChem (CID 135497054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).