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

C21H23FN4O2 — CID 110330758

IUPACN-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCc2nc(-c3ccccc3F)no2)cc1
InChIInChI=1S/C21H23FN4O2/c1-3-26(4-2)16-11-9-15(10-12-16)23-19(27)13-14-20-24-21(25-28-20)17-7-5-6-8-18(17)22/h5-12H,3-4,13-14H2,1-2H3,(H,23,27)
InChIKeyRPJFCRQXWBATTD-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.29
Rot. Bonds8

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

N-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 110330758) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID110330758
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCc2nc(-c3ccccc3F)no2)cc1
InChIInChI=1S/C21H23FN4O2/c1-3-26(4-2)16-11-9-15(10-12-16)23-19(27)13-14-20-24-21(25-28-20)17-7-5-6-8-18(17)22/h5-12H,3-4,13-14H2,1-2H3,(H,23,27)
InChIKeyRPJFCRQXWBATTD-UHFFFAOYSA-N
XLogP4.29
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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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-(3,4-dimethyl-1,2-oxazol-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 156585056
N-(2-ethoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2023323
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
CID 17101530
N-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330937
N-[4-(dimethylamino)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 110330622
N-(3-chloro-4-fluorophenyl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100757710
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330717
N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 52667872
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 110330758) is N-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCN(CC)c1ccc(NC(=O)CCc2nc(-c3ccccc3F)no2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is RPJFCRQXWBATTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-3-26(4-2)16-11-9-15(10-12-16)23-19(27)13-14-20-24-21(25-28-20)17-7-5-6-8-18(17)22/h5-12H,3-4,13-14H2,1-2H3,(H,23,27).
What are the key properties of N-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 382.44 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 110330758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).