N,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H17FN2O2 — CID 17095818

IUPACN,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C14H17FN2O2/c1-3-17(4-2)14(18)13-9-12(16-19-13)10-7-5-6-8-11(10)15/h5-8,13H,3-4,9H2,1-2H3
InChIKeyJDJKPZHETPJWGA-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.19
Rot. Bonds4

About N,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17095818) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17095818
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C14H17FN2O2/c1-3-17(4-2)14(18)13-9-12(16-19-13)10-7-5-6-8-11(10)15/h5-8,13H,3-4,9H2,1-2H3
InChIKeyJDJKPZHETPJWGA-UHFFFAOYSA-N
XLogP2.19
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-2-methylpiperidine
CID 3238468
(4-Ethylpiperazino)[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methanone
CID 5308889
(4-Benzylpiperazin-1-yl)[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 5309483
1-{[3-(2-Chloro-6-fluorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}-4-methylpiperazine
CID 2962184
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-2,6-dimethylpiperidine
CID 3236925
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}piperidine
CID 3241252
N-butyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681849
3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681858
N-propyl-3-[4-(trifluoromethyl)phenyl]-2-isoxazoline-5-carboxamide
CID 16745467
N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16745472
3-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dibutylamino)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 23640770
N-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 4897826

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17095818) is N,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCN(CC)C(=O)C1CC(c2ccccc2F)=NO1.
What is the InChIKey of N,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is JDJKPZHETPJWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-3-17(4-2)14(18)13-9-12(16-19-13)10-7-5-6-8-11(10)15/h5-8,13H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).