N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxamide

C25H31F2N3O4 — CID 170720771

IUPACN-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxamide
SMILESCCc1oc(N2CC(CC)(OC)C2)nc1C(=O)Nc1cc(F)c(OC2CC3CC(C3)C2)c(F)c1
InChIInChI=1S/C25H31F2N3O4/c1-4-20-21(29-24(34-20)30-12-25(5-2,13-30)32-3)23(31)28-16-10-18(26)22(19(27)11-16)33-17-8-14-6-15(7-14)9-17/h10-11,14-15,17H,4-9,12-13H2,1-3H3,(H,28,31)
InChIKeyPJAKLTUQTREUBD-UHFFFAOYSA-N
MW475.54 g/mol
LogP4.95
Rot. Bonds8

About N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxamide

N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxamide (PubChem CID 170720771) has the molecular formula C25H31F2N3O4 and a molecular weight of 475.54 g/mol. Its IUPAC name is N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxamide
PubChem CID170720771
Molecular FormulaC25H31F2N3O4
Molecular Weight475.54 g/mol
Exact Mass475.23
IUPAC NameN-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxamide
SMILESCCc1oc(N2CC(CC)(OC)C2)nc1C(=O)Nc1cc(F)c(OC2CC3CC(C3)C2)c(F)c1
InChIInChI=1S/C25H31F2N3O4/c1-4-20-21(29-24(34-20)30-12-25(5-2,13-30)32-3)23(31)28-16-10-18(26)22(19(27)11-16)33-17-8-14-6-15(7-14)9-17/h10-11,14-15,17H,4-9,12-13H2,1-3H3,(H,28,31)
InChIKeyPJAKLTUQTREUBD-UHFFFAOYSA-N
XLogP4.95
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-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

Related Compounds

N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720626
2-(3,3-diethylazetidin-1-yl)-N-[3,5-difluoro-4-(oxan-3-yloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 170720444
N-[3-chloro-5-fluoro-4-(3-methylcyclopentyl)oxyphenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide
CID 170720523
N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-chloro-5-fluorophenyl]-5-ethyl-2-[3-ethyl-3-(hydroxymethyl)azetidin-1-yl]-1,3-oxazole-4-carboxamide
CID 171579570
N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720481
N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-2-(3,3-diethylazetidin-1-yl)-5-(methoxymethyl)-1,3-oxazole-4-carboxamide
CID 171579625
N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3,5-difluorophenyl]-5-ethyl-2-pyrazol-1-yl-1,3-oxazole-4-carboxamide
CID 171579629
2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 174163170
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
N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720413
N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3-ethyl-3-(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen
CID 170720412
2-[4-(3-bicyclo[3.1.1]heptanyloxy)-3-fluoro-5-phenylmethoxyphenyl]-1-[2-(3-ethyl-3-methoxyazetidin-1-yl)-5-[[ethyl(methyl)amino]methyl]-1,3-oxazol-4-yl]ethanone
CID 171579668

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxamide (CID 170720771) is N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxamide is CCc1oc(N2CC(CC)(OC)C2)nc1C(=O)Nc1cc(F)c(OC2CC3CC(C3)C2)c(F)c1.
What is the InChIKey of N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is PJAKLTUQTREUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N3O4/c1-4-20-21(29-24(34-20)30-12-25(5-2,13-30)32-3)23(31)28-16-10-18(26)22(19(27)11-16)33-17-8-14-6-15(7-14)9-17/h10-11,14-15,17H,4-9,12-13H2,1-3H3,(H,28,31).
What are the key properties of N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxamide?
N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 475.54 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).