2-(difluoromethyl)-4,5-diphenyl-1,3-oxazole

C16H11F2NO — CID 18701609

IUPAC2-(difluoromethyl)-4,5-diphenyl-1,3-oxazole
SMILESFC(F)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C16H11F2NO/c17-15(18)16-19-13(11-7-3-1-4-8-11)14(20-16)12-9-5-2-6-10-12/h1-10,15H
InChIKeyNFIMYWFODPZUIM-UHFFFAOYSA-N
MW271.27 g/mol
LogP4.95
Rot. Bonds3

About 2-(difluoromethyl)-4,5-diphenyl-1,3-oxazole

2-(difluoromethyl)-4,5-diphenyl-1,3-oxazole (PubChem CID 18701609) has the molecular formula C16H11F2NO and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-(difluoromethyl)-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(difluoromethyl)-4,5-diphenyl-1,3-oxazole
PubChem CID18701609
Molecular FormulaC16H11F2NO
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-(difluoromethyl)-4,5-diphenyl-1,3-oxazole
SMILESFC(F)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C16H11F2NO/c17-15(18)16-19-13(11-7-3-1-4-8-11)14(20-16)12-9-5-2-6-10-12/h1-10,15H
InChIKeyNFIMYWFODPZUIM-UHFFFAOYSA-N
XLogP4.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-diphenyl-1,3-oxazol-2-yl)ethane-1,2-diol
CID 18367429
1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-diethylethanamine
CID 68797002
2-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid
CID 54508468
3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol
CID 10470825
2-nitro-4,5-diphenyl-1,3-oxazole
CID 12873125
4,5-bis(4-bromophenyl)-2-phenyl-1,3-oxazole
CID 71740991
2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole
CID 141107601
(1S)-2-[(4S,5R)-5-(bromomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4,5-diphenyl-1,3-oxazol-2-yl)ethanamine
CID 11167008
2-(furan-2-yl)-4,5-diphenyl-1,3-oxazole
CID 71740870
2-(isocyanomethyl)-4,5-diphenyl-1,3-oxazole
CID 15237344
4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline
CID 90046829
2-[[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole
CID 4108977

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-(difluoromethyl)-4,5-diphenyl-1,3-oxazole (CID 18701609) is 2-(difluoromethyl)-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-(difluoromethyl)-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-(difluoromethyl)-4,5-diphenyl-1,3-oxazole is FC(F)c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-(difluoromethyl)-4,5-diphenyl-1,3-oxazole?
The InChIKey is NFIMYWFODPZUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO/c17-15(18)16-19-13(11-7-3-1-4-8-11)14(20-16)12-9-5-2-6-10-12/h1-10,15H.
What are the key properties of 2-(difluoromethyl)-4,5-diphenyl-1,3-oxazole?
2-(difluoromethyl)-4,5-diphenyl-1,3-oxazole has a molecular weight of 271.27 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 18701609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).