N-(2,5-dimethylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropanamide

C23H25FN2O2 — CID 56502105

IUPACN-(2,5-dimethylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropanamide
SMILESCc1ccc(C)c(N(C(=O)CCc2ncc(-c3ccccc3F)o2)C(C)C)c1
InChIInChI=1S/C23H25FN2O2/c1-15(2)26(20-13-16(3)9-10-17(20)4)23(27)12-11-22-25-14-21(28-22)18-7-5-6-8-19(18)24/h5-10,13-15H,11-12H2,1-4H3
InChIKeyWBJSZXLEAVMQFZ-UHFFFAOYSA-N
MW380.46 g/mol
LogP5.47
Rot. Bonds6

About N-(2,5-dimethylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropanamide

N-(2,5-dimethylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropanamide (PubChem CID 56502105) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropanamide
PubChem CID56502105
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC NameN-(2,5-dimethylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropanamide
SMILESCc1ccc(C)c(N(C(=O)CCc2ncc(-c3ccccc3F)o2)C(C)C)c1
InChIInChI=1S/C23H25FN2O2/c1-15(2)26(20-13-16(3)9-10-17(20)4)23(27)12-11-22-25-14-21(28-22)18-7-5-6-8-19(18)24/h5-10,13-15H,11-12H2,1-4H3
InChIKeyWBJSZXLEAVMQFZ-UHFFFAOYSA-N
XLogP5.47
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.46
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18168838
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695986
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886027
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 18138235
(4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55508434
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 16591529
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 33046155
N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18137368
(2S)-2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methylpentanoic acid
CID 119361228
N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16600650
N-[2-(dimethylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78882579
2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide
CID 86915668

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropanamide (CID 56502105) is N-(2,5-dimethylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropanamide is Cc1ccc(C)c(N(C(=O)CCc2ncc(-c3ccccc3F)o2)C(C)C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropanamide?
The InChIKey is WBJSZXLEAVMQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-15(2)26(20-13-16(3)9-10-17(20)4)23(27)12-11-22-25-14-21(28-22)18-7-5-6-8-19(18)24/h5-10,13-15H,11-12H2,1-4H3.
What are the key properties of N-(2,5-dimethylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropanamide?
N-(2,5-dimethylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropanamide has a molecular weight of 380.46 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 56502105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).