N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1,2-oxazole-3-carboxamide

C20H20FN3O3 — CID 72944087

IUPACN-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCC(Oc2ccnc3c(F)cccc23)CC1)c1ccon1
InChIInChI=1S/C20H20FN3O3/c21-16-3-1-2-15-18(8-10-22-19(15)16)27-14-6-4-13(5-7-14)12-23-20(25)17-9-11-26-24-17/h1-3,8-11,13-14H,4-7,12H2,(H,23,25)
InChIKeyGPIBRJSMBUXWNO-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.73
Rot. Bonds5

About N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1,2-oxazole-3-carboxamide

N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 72944087) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID72944087
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCC(Oc2ccnc3c(F)cccc23)CC1)c1ccon1
InChIInChI=1S/C20H20FN3O3/c21-16-3-1-2-15-18(8-10-22-19(15)16)27-14-6-4-13(5-7-14)12-23-20(25)17-9-11-26-24-17/h1-3,8-11,13-14H,4-7,12H2,(H,23,25)
InChIKeyGPIBRJSMBUXWNO-UHFFFAOYSA-N
XLogP3.73
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1,2-oxazole-3-carboxamide (CID 72944087) is N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1CCC(Oc2ccnc3c(F)cccc23)CC1)c1ccon1.
What is the InChIKey of N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is GPIBRJSMBUXWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-16-3-1-2-15-18(8-10-22-19(15)16)27-14-6-4-13(5-7-14)12-23-20(25)17-9-11-26-24-17/h1-3,8-11,13-14H,4-7,12H2,(H,23,25).
What are the key properties of N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1,2-oxazole-3-carboxamide?
N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 72944087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).