N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide

C22H23FN2O2 — CID 43068883

IUPACN-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cc(-c2cccc(F)c2)no1
InChIInChI=1S/C22H23FN2O2/c1-13(2)17-9-6-10-18(14(3)4)21(17)24-22(26)20-12-19(25-27-20)15-7-5-8-16(23)11-15/h5-14H,1-4H3,(H,24,26)
InChIKeyCGGJLFGROZSNMX-UHFFFAOYSA-N
MW366.44 g/mol
LogP5.98
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 43068883) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
PubChem CID43068883
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cc(-c2cccc(F)c2)no1
InChIInChI=1S/C22H23FN2O2/c1-13(2)17-9-6-10-18(14(3)4)21(17)24-22(26)20-12-19(25-27-20)15-7-5-8-16(23)11-15/h5-14H,1-4H3,(H,24,26)
InChIKeyCGGJLFGROZSNMX-UHFFFAOYSA-N
XLogP5.98
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46471110
N-(2-tert-butylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068926
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43071866
N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427554
3-(3-fluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 43068966
N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46472289
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 110164148
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46975857
N-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide
CID 177345266
N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 17096006
N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide
CID 8778728
[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 46471000

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide (CID 43068883) is N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)c1cc(-c2cccc(F)c2)no1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is CGGJLFGROZSNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-13(2)17-9-6-10-18(14(3)4)21(17)24-22(26)20-12-19(25-27-20)15-7-5-8-16(23)11-15/h5-14H,1-4H3,(H,24,26).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43068883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).