N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(7-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide

C23H20FN3O4 — CID 70685622

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(7-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide
SMILESCOc1cc(Oc2ccnc3cc(F)ccc23)ccc1CC(=O)Nc1noc(C)c1C
InChIInChI=1S/C23H20FN3O4/c1-13-14(2)31-27-23(13)26-22(28)10-15-4-6-17(12-21(15)29-3)30-20-8-9-25-19-11-16(24)5-7-18(19)20/h4-9,11-12H,10H2,1-3H3,(H,26,27,28)
InChIKeyKHQIHWMLBYCIHB-UHFFFAOYSA-N
MW421.43 g/mol
LogP4.96
Rot. Bonds6

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(7-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(7-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide (PubChem CID 70685622) has the molecular formula C23H20FN3O4 and a molecular weight of 421.43 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(7-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(7-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide
PubChem CID70685622
Molecular FormulaC23H20FN3O4
Molecular Weight421.43 g/mol
Exact Mass421.14
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(7-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide
SMILESCOc1cc(Oc2ccnc3cc(F)ccc23)ccc1CC(=O)Nc1noc(C)c1C
InChIInChI=1S/C23H20FN3O4/c1-13-14(2)31-27-23(13)26-22(28)10-15-4-6-17(12-21(15)29-3)30-20-8-9-25-19-11-16(24)5-7-18(19)20/h4-9,11-12H,10H2,1-3H3,(H,26,27,28)
InChIKeyKHQIHWMLBYCIHB-UHFFFAOYSA-N
XLogP4.96
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(7-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(7-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide (CID 70685622) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(7-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(7-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(7-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide is COc1cc(Oc2ccnc3cc(F)ccc23)ccc1CC(=O)Nc1noc(C)c1C.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(7-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide?
The InChIKey is KHQIHWMLBYCIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4/c1-13-14(2)31-27-23(13)26-22(28)10-15-4-6-17(12-21(15)29-3)30-20-8-9-25-19-11-16(24)5-7-18(19)20/h4-9,11-12H,10H2,1-3H3,(H,26,27,28).
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(7-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(7-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide has a molecular weight of 421.43 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(7-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide is sourced from PubChem (CID 70685622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).