3-[(4-fluorophenyl)methyl]-N-methyl-N-(oxolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H19FN2O3 — CID 126463599

IUPAC3-[(4-fluorophenyl)methyl]-N-methyl-N-(oxolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(C(=O)C1CC(Cc2ccc(F)cc2)=NO1)C1CCOC1
InChIInChI=1S/C16H19FN2O3/c1-19(14-6-7-21-10-14)16(20)15-9-13(18-22-15)8-11-2-4-12(17)5-3-11/h2-5,14-15H,6-10H2,1H3
InChIKeyVKHRNEMBYLFIJK-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.76
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-N-methyl-N-(oxolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-[(4-fluorophenyl)methyl]-N-methyl-N-(oxolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 126463599) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-N-methyl-N-(oxolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-N-methyl-N-(oxolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID126463599
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name3-[(4-fluorophenyl)methyl]-N-methyl-N-(oxolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(C(=O)C1CC(Cc2ccc(F)cc2)=NO1)C1CCOC1
InChIInChI=1S/C16H19FN2O3/c1-19(14-6-7-21-10-14)16(20)15-9-13(18-22-15)8-11-2-4-12(17)5-3-11/h2-5,14-15H,6-10H2,1H3
InChIKeyVKHRNEMBYLFIJK-UHFFFAOYSA-N
XLogP1.76
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
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
2-[3-(3-(2,4-Difluorophenyl)-4,5-dihydro-5-isoxazolyl]-1-(4-morpholinyl)ethanone
CID 59723793
[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl](4-methylpiperidin-1-yl)methanone
CID 3235728
N-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3239084
Ethyl 4-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine-1-carboxylate
CID 5308699
1,4-Dioxa-8-azaspiro[4.5]dec-8-YL[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methanone
CID 9550260
3-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 9550380
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-4-methylpiperazine
CID 9550476
3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681859

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-N-methyl-N-(oxolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-N-methyl-N-(oxolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 126463599) is 3-[(4-fluorophenyl)methyl]-N-methyl-N-(oxolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-N-methyl-N-(oxolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-N-methyl-N-(oxolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CN(C(=O)C1CC(Cc2ccc(F)cc2)=NO1)C1CCOC1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-N-methyl-N-(oxolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is VKHRNEMBYLFIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-19(14-6-7-21-10-14)16(20)15-9-13(18-22-15)8-11-2-4-12(17)5-3-11/h2-5,14-15H,6-10H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-N-methyl-N-(oxolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-[(4-fluorophenyl)methyl]-N-methyl-N-(oxolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-N-methyl-N-(oxolan-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 126463599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).