N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide

C23H27F2N3O4 — CID 170720293

IUPACN-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide
SMILESCCc1oc(N2CC(C)(OC)C2)nc1C(=O)Nc1cc(F)c(OC2CC3CC3C2)c(F)c1
InChIInChI=1S/C23H27F2N3O4/c1-4-18-19(27-22(32-18)28-10-23(2,11-28)30-3)21(29)26-14-8-16(24)20(17(25)9-14)31-15-6-12-5-13(12)7-15/h8-9,12-13,15H,4-7,10-11H2,1-3H3,(H,26,29)
InChIKeyFEGADXAWRSTZKF-UHFFFAOYSA-N
MW447.48 g/mol
LogP4.17
Rot. Bonds7

About N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide

N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide (PubChem CID 170720293) has the molecular formula C23H27F2N3O4 and a molecular weight of 447.48 g/mol. Its IUPAC name is N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide
PubChem CID170720293
Molecular FormulaC23H27F2N3O4
Molecular Weight447.48 g/mol
Exact Mass447.20
IUPAC NameN-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide
SMILESCCc1oc(N2CC(C)(OC)C2)nc1C(=O)Nc1cc(F)c(OC2CC3CC3C2)c(F)c1
InChIInChI=1S/C23H27F2N3O4/c1-4-18-19(27-22(32-18)28-10-23(2,11-28)30-3)21(29)26-14-8-16(24)20(17(25)9-14)31-15-6-12-5-13(12)7-15/h8-9,12-13,15H,4-7,10-11H2,1-3H3,(H,26,29)
InChIKeyFEGADXAWRSTZKF-UHFFFAOYSA-N
XLogP4.17
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide (CID 170720293) is N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide is CCc1oc(N2CC(C)(OC)C2)nc1C(=O)Nc1cc(F)c(OC2CC3CC3C2)c(F)c1.
What is the InChIKey of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is FEGADXAWRSTZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O4/c1-4-18-19(27-22(32-18)28-10-23(2,11-28)30-3)21(29)26-14-8-16(24)20(17(25)9-14)31-15-6-12-5-13(12)7-15/h8-9,12-13,15H,4-7,10-11H2,1-3H3,(H,26,29).
What are the key properties of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide?
N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 447.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).