2-[4-[2,6-difluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole

C30H35F4NO — CID 22384328

IUPAC2-[4-[2,6-difluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCCC1CCC2CC(c3cc(F)c(-c4cc(F)c(C5=NC(C)(C)CO5)c(F)c4)c(F)c3)CCC2C1
InChIInChI=1S/C30H35F4NO/c1-4-5-17-6-7-19-11-20(9-8-18(19)10-17)21-12-23(31)27(24(32)13-21)22-14-25(33)28(26(34)15-22)29-35-30(2,3)16-36-29/h12-15,17-20H,4-11,16H2,1-3H3
InChIKeyDLAIXELEFIRISS-UHFFFAOYSA-N
MW501.61 g/mol
LogP8.57
Rot. Bonds5

About 2-[4-[2,6-difluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[4-[2,6-difluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 22384328) has the molecular formula C30H35F4NO and a molecular weight of 501.61 g/mol. Its IUPAC name is 2-[4-[2,6-difluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[2,6-difluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID22384328
Molecular FormulaC30H35F4NO
Molecular Weight501.61 g/mol
Exact Mass501.27
IUPAC Name2-[4-[2,6-difluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCCC1CCC2CC(c3cc(F)c(-c4cc(F)c(C5=NC(C)(C)CO5)c(F)c4)c(F)c3)CCC2C1
InChIInChI=1S/C30H35F4NO/c1-4-5-17-6-7-19-11-20(9-8-18(19)10-17)21-12-23(31)27(24(32)13-21)22-14-25(33)28(26(34)15-22)29-35-30(2,3)16-36-29/h12-15,17-20H,4-11,16H2,1-3H3
InChIKeyDLAIXELEFIRISS-UHFFFAOYSA-N
XLogP8.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.61
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[2,6-difluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole 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

2-[4-[4-[(2R,4aR,8aR)-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,6-difluorophenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 20808879
2-[4-[2,6-difluoro-4-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 22384798
2-[4-[4-[(2R,4aR,8aR)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 20809299
2-[4-[2,6-difluoro-4-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2-fluorophenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 22383809
2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22385286
2-[4-[4-[(2R,4aR,8aR)-6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 20809438
2-butyl-6-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383401
(2R,4aR,8aR)-2-[4-[4-(difluoromethoxy)phenyl]-3,5-difluorophenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20808973
2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384679
(2R,4aR,8aR)-2-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20808983
2-but-3-enyl-6-[4-(3,5-difluoro-4-methylphenyl)-3,5-difluorophenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867900
2-propyl-6-[4-(3,4,5-trifluorophenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384631

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,6-difluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[4-[2,6-difluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 22384328) is 2-[4-[2,6-difluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[4-[2,6-difluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[4-[2,6-difluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole is CCCC1CCC2CC(c3cc(F)c(-c4cc(F)c(C5=NC(C)(C)CO5)c(F)c4)c(F)c3)CCC2C1.
What is the InChIKey of 2-[4-[2,6-difluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is DLAIXELEFIRISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F4NO/c1-4-5-17-6-7-19-11-20(9-8-18(19)10-17)21-12-23(31)27(24(32)13-21)22-14-25(33)28(26(34)15-22)29-35-30(2,3)16-36-29/h12-15,17-20H,4-11,16H2,1-3H3.
What are the key properties of 2-[4-[2,6-difluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[4-[2,6-difluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 501.61 g/mol, XLogP of 8.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,6-difluoro-4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]-2,6-difluorophenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 22384328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).