N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide

C24H22FN3O4 — CID 67304059

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide
SMILESCOc1cc(Oc2ccnc3ccc(F)cc23)ccc1C(C)C(=O)Nc1noc(C)c1C
InChIInChI=1S/C24H22FN3O4/c1-13-15(3)32-28-23(13)27-24(29)14(2)18-7-6-17(12-22(18)30-4)31-21-9-10-26-20-8-5-16(25)11-19(20)21/h5-12,14H,1-4H3,(H,27,28,29)
InChIKeyKSYMPVUXUUXYPL-UHFFFAOYSA-N
MW435.46 g/mol
LogP5.52
Rot. Bonds6

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide (PubChem CID 67304059) has the molecular formula C24H22FN3O4 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide
PubChem CID67304059
Molecular FormulaC24H22FN3O4
Molecular Weight435.46 g/mol
Exact Mass435.16
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide
SMILESCOc1cc(Oc2ccnc3ccc(F)cc23)ccc1C(C)C(=O)Nc1noc(C)c1C
InChIInChI=1S/C24H22FN3O4/c1-13-15(3)32-28-23(13)27-24(29)14(2)18-7-6-17(12-22(18)30-4)31-21-9-10-26-20-8-5-16(25)11-19(20)21/h5-12,14H,1-4H3,(H,27,28,29)
InChIKeyKSYMPVUXUUXYPL-UHFFFAOYSA-N
XLogP5.52
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.46
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide
CID 24759202
4-[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-methoxyphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 24759206
2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide
CID 68956688
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea
CID 22936280
N-(2,4-difluorophenyl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-methoxypropanediamide
CID 22935461
3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea
CID 139799425
N'-(2,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]propanediamide
CID 59791951
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(2,4-difluorophenyl)urea
CID 22936794
1-[4-[7-(1-bromoethoxy)-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(2,4-difluorophenyl)urea
CID 142651684
2-[5-(6-fluoroquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-2-(1H-pyrazol-4-yl)acetamide
CID 69277347

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide (CID 67304059) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide is COc1cc(Oc2ccnc3ccc(F)cc23)ccc1C(C)C(=O)Nc1noc(C)c1C.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide?
The InChIKey is KSYMPVUXUUXYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4/c1-13-15(3)32-28-23(13)27-24(29)14(2)18-7-6-17(12-22(18)30-4)31-21-9-10-26-20-8-5-16(25)11-19(20)21/h5-12,14H,1-4H3,(H,27,28,29).
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide has a molecular weight of 435.46 g/mol, XLogP of 5.52, 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-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide is sourced from PubChem (CID 67304059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).