N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide

C24H29F2N3O4 — CID 170720769

IUPACN-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide
SMILESCOC1(C)CN(c2nc(C(=O)Nc3cc(C)c(OC4CC5C[C@H]5C4)c(F)c3)c(CCF)o2)C1
InChIInChI=1S/C24H29F2N3O4/c1-13-6-16(10-18(26)21(13)32-17-8-14-7-15(14)9-17)27-22(30)20-19(4-5-25)33-23(28-20)29-11-24(2,12-29)31-3/h6,10,14-15,17H,4-5,7-9,11-12H2,1-3H3,(H,27,30)/t14-,15?,17?/m0/s1
InChIKeyJEIBSYHBUSYAKH-UQPPLGOBSA-N
MW461.51 g/mol
LogP4.29
Rot. Bonds8

About N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide

N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide (PubChem CID 170720769) has the molecular formula C24H29F2N3O4 and a molecular weight of 461.51 g/mol. Its IUPAC name is N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide
PubChem CID170720769
Molecular FormulaC24H29F2N3O4
Molecular Weight461.51 g/mol
Exact Mass461.21
IUPAC NameN-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide
SMILESCOC1(C)CN(c2nc(C(=O)Nc3cc(C)c(OC4CC5C[C@H]5C4)c(F)c3)c(CCF)o2)C1
InChIInChI=1S/C24H29F2N3O4/c1-13-6-16(10-18(26)21(13)32-17-8-14-7-15(14)9-17)27-22(30)20-19(4-5-25)33-23(28-20)29-11-24(2,12-29)31-3/h6,10,14-15,17H,4-5,7-9,11-12H2,1-3H3,(H,27,30)/t14-,15?,17?/m0/s1
InChIKeyJEIBSYHBUSYAKH-UQPPLGOBSA-N
XLogP4.29
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide (CID 170720769) is N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide is COC1(C)CN(c2nc(C(=O)Nc3cc(C)c(OC4CC5C[C@H]5C4)c(F)c3)c(CCF)o2)C1.
What is the InChIKey of N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is JEIBSYHBUSYAKH-UQPPLGOBSA-N. The full InChI is InChI=1S/C24H29F2N3O4/c1-13-6-16(10-18(26)21(13)32-17-8-14-7-15(14)9-17)27-22(30)20-19(4-5-25)33-23(28-20)29-11-24(2,12-29)31-3/h6,10,14-15,17H,4-5,7-9,11-12H2,1-3H3,(H,27,30)/t14-,15?,17?/m0/s1.
What are the key properties of N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide?
N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 461.51 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).