4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole

C26H23F2NO — CID 141295977

IUPAC4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1CC(F)(F)CCc1ccccc1
InChIInChI=1S/C26H23F2NO/c1-19-24(18-26(27,28)17-16-20-8-4-2-5-9-20)25(30-29-19)23-14-12-22(13-15-23)21-10-6-3-7-11-21/h2-15H,16-18H2,1H3
InChIKeyOMESQGIVJUTSHU-UHFFFAOYSA-N
MW403.47 g/mol
LogP7.13
Rot. Bonds7

About 4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole

4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole (PubChem CID 141295977) has the molecular formula C26H23F2NO and a molecular weight of 403.47 g/mol. Its IUPAC name is 4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole
PubChem CID141295977
Molecular FormulaC26H23F2NO
Molecular Weight403.47 g/mol
Exact Mass403.17
IUPAC Name4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1CC(F)(F)CCc1ccccc1
InChIInChI=1S/C26H23F2NO/c1-19-24(18-26(27,28)17-16-20-8-4-2-5-9-20)25(30-29-19)23-14-12-22(13-15-23)21-10-6-3-7-11-21/h2-15H,16-18H2,1H3
InChIKeyOMESQGIVJUTSHU-UHFFFAOYSA-N
XLogP7.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.47
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[4-[4-[4-(2,2-difluoro-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate
CID 66578360
ethyl 2-[4-[4-[4-(2,2-difluoro-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66578490
4-benzyl-3-methyl-5-phenyl-1,2-oxazole
CID 14978502
N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine
CID 66578224
4-[(4-benzyltriazol-1-yl)methyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole
CID 141297263
4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)butanamide
CID 123973953
5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(2-phenylethylsulfonylmethyl)-1,2-oxazole
CID 141296044
2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide
CID 141296063
(2R)-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropan-1-amine
CID 141296003
4-[4-[3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazol-5-yl]phenyl]benzoic acid
CID 148935050
(5-benzyl-1,3,4-oxadiazol-2-yl)-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol
CID 123261039
4-[2-[(2-chlorophenyl)methoxy]ethyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole
CID 141296073

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole?
The IUPAC name of 4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole (CID 141295977) is 4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole?
The canonical SMILES for 4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole is Cc1noc(-c2ccc(-c3ccccc3)cc2)c1CC(F)(F)CCc1ccccc1.
What is the InChIKey of 4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole?
The InChIKey is OMESQGIVJUTSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2NO/c1-19-24(18-26(27,28)17-16-20-8-4-2-5-9-20)25(30-29-19)23-14-12-22(13-15-23)21-10-6-3-7-11-21/h2-15H,16-18H2,1H3.
What are the key properties of 4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole?
4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole has a molecular weight of 403.47 g/mol, XLogP of 7.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole is sourced from PubChem (CID 141295977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).