N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

C16H15FN4O3 — CID 156585056

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1noc(NC(=O)CCc2nc(-c3ccccc3F)no2)c1C
InChIInChI=1S/C16H15FN4O3/c1-9-10(2)20-24-16(9)18-13(22)7-8-14-19-15(21-23-14)11-5-3-4-6-12(11)17/h3-6H,7-8H2,1-2H3,(H,18,22)
InChIKeyVCZKBMNQIUSWIU-UHFFFAOYSA-N
MW330.32 g/mol
LogP3.05
Rot. Bonds5

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 156585056) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID156585056
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1noc(NC(=O)CCc2nc(-c3ccccc3F)no2)c1C
InChIInChI=1S/C16H15FN4O3/c1-9-10(2)20-24-16(9)18-13(22)7-8-14-19-15(21-23-14)11-5-3-4-6-12(11)17/h3-6H,7-8H2,1-2H3,(H,18,22)
InChIKeyVCZKBMNQIUSWIU-UHFFFAOYSA-N
XLogP3.05
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330757
N-(3-chloro-4-methylphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330752
N-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330758
N-(2-ethoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2023323
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330717
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 110330727
(3S)-3-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-(2-methylphenyl)propanoic acid
CID 71240342
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 866835
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(2-methylphenyl)propanamide
CID 22431108
N-(2,6-dimethylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761441
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
CID 110323402
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080371

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 156585056) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1noc(NC(=O)CCc2nc(-c3ccccc3F)no2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is VCZKBMNQIUSWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c1-9-10(2)20-24-16(9)18-13(22)7-8-14-19-15(21-23-14)11-5-3-4-6-12(11)17/h3-6H,7-8H2,1-2H3,(H,18,22).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 330.32 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 156585056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).