7-[2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one

C36H19ClF6N6O4 — CID 174241515

IUPAC7-[2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
SMILESO=c1c2ncccc2ccn1-c1nc(Cl)oc1-c1ccc(C(F)(F)F)cc1.O=c1c2ncccc2ccn1-c1ncoc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H9ClF3N3O2.C18H10F3N3O2/c19-17-24-15(25-9-7-10-2-1-8-23-13(10)16(25)26)14(27-17)11-3-5-12(6-4-11)18(20,21)22;19-18(20,21)13-5-3-12(4-6-13)15-16(23-10-26-15)24-9-7-11-2-1-8-22-14(11)17(24)25/h1-9H;1-10H
InChIKeyOIWOFEFWQRKXBG-UHFFFAOYSA-N
MW749.03 g/mol
LogP8.77
Rot. Bonds4

About 7-[2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one

7-[2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one (PubChem CID 174241515) has the molecular formula C36H19ClF6N6O4 and a molecular weight of 749.03 g/mol. Its IUPAC name is 7-[2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
PubChem CID174241515
Molecular FormulaC36H19ClF6N6O4
Molecular Weight749.03 g/mol
Exact Mass748.11
IUPAC Name7-[2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
SMILESO=c1c2ncccc2ccn1-c1nc(Cl)oc1-c1ccc(C(F)(F)F)cc1.O=c1c2ncccc2ccn1-c1ncoc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H9ClF3N3O2.C18H10F3N3O2/c19-17-24-15(25-9-7-10-2-1-8-23-13(10)16(25)26)14(27-17)11-3-5-12(6-4-11)18(20,21)22;19-18(20,21)13-5-3-12(4-6-13)15-16(23-10-26-15)24-9-7-11-2-1-8-22-14(11)17(24)25/h1-9H;1-10H
InChIKeyOIWOFEFWQRKXBG-UHFFFAOYSA-N
XLogP8.77
TPSA121.84 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.03
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-[2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one with MolForge

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Related Compounds

2-[4-[2-[4-[4-[4-[1-[2-(dimethylamino)-2-oxoethyl]pyridin-1-ium-4-yl]-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]phenyl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-1-ium-1-yl]-N,N-dimethylacetamide dichloride
CID 56839386
3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 24985874
N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 132056599
(4s)-N-[3-(1,3-Oxazol-5-Yl)phenyl]-7-[3-(Trifluoromethyl)phenyl]-3,4-Dihydro-1,4-Methanopyrido[2,3-B][1,4]diazepine-5(2h)-Carboxamide
CID 86293570
2-[4-[2-[4-[4-[4-[1-[2-(dimethylamino)-2-oxoethyl]pyridin-1-ium-4-yl]-5-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazol-2-yl]phenyl]phenyl]-5-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazol-4-yl]pyridin-1-ium-1-yl]-N,N-dimethylacetamide dichloride
CID 56839584
2-[4-[2-[4-[4-[4-[1-[2-(dimethylamino)-2-oxoethyl]pyridin-1-ium-4-yl]-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-oxazol-2-yl]phenyl]phenyl]-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-oxazol-4-yl]pyridin-1-ium-1-yl]-N,N-dimethylacetamide dichloride
CID 56929921
4-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 132055738
N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 132056176
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 132056483
(3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 137348285
6-(5-Phenyl-1,3-oxazol-2-yl)-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one
CID 122229568
[5-(3-Methylphenyl)-1,3-oxazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 126470532

Frequently Asked Questions

What is the IUPAC name of 7-[2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one?
The IUPAC name of 7-[2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one (CID 174241515) is 7-[2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-[2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one?
The canonical SMILES for 7-[2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one is O=c1c2ncccc2ccn1-c1nc(Cl)oc1-c1ccc(C(F)(F)F)cc1.O=c1c2ncccc2ccn1-c1ncoc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-[2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one?
The InChIKey is OIWOFEFWQRKXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF3N3O2.C18H10F3N3O2/c19-17-24-15(25-9-7-10-2-1-8-23-13(10)16(25)26)14(27-17)11-3-5-12(6-4-11)18(20,21)22;19-18(20,21)13-5-3-12(4-6-13)15-16(23-10-26-15)24-9-7-11-2-1-8-22-14(11)17(24)25/h1-9H;1-10H.
What are the key properties of 7-[2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one?
7-[2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one has a molecular weight of 749.03 g/mol, XLogP of 8.77, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one;7-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one is sourced from PubChem (CID 174241515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).