2-[4-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-1-yl]-N-propylacetamide

C19H25FN4O3 — CID 55669149

IUPAC2-[4-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)C2CC(c3cccc(F)c3)=NO2)CC1
InChIInChI=1S/C19H25FN4O3/c1-2-6-21-18(25)13-23-7-9-24(10-8-23)19(26)17-12-16(22-27-17)14-4-3-5-15(20)11-14/h3-5,11,17H,2,6-10,12-13H2,1H3,(H,21,25)
InChIKeyKFKDKRYXNKXGGA-UHFFFAOYSA-N
MW376.43 g/mol
LogP0.99
Rot. Bonds6

About 2-[4-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-1-yl]-N-propylacetamide

2-[4-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 55669149) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-[4-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-1-yl]-N-propylacetamide
PubChem CID55669149
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name2-[4-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)C2CC(c3cccc(F)c3)=NO2)CC1
InChIInChI=1S/C19H25FN4O3/c1-2-6-21-18(25)13-23-7-9-24(10-8-23)19(26)17-12-16(22-27-17)14-4-3-5-15(20)11-14/h3-5,11,17H,2,6-10,12-13H2,1H3,(H,21,25)
InChIKeyKFKDKRYXNKXGGA-UHFFFAOYSA-N
XLogP0.99
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(2-methylanilino)piperidin-1-yl]methanone
CID 52538133
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone
CID 55780882
[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19493432
(2,5-difluorophenyl)-[1-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone
CID 51123414
[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 3158123
[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-[(3-bromophenyl)methyl]piperazin-1-yl]methanone
CID 19495754
N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071810
ethyl 4-[(5R)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine-1-carboxylate
CID 51853763
3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47028518
2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55377147
[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 171133345

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-1-yl]-N-propylacetamide (CID 55669149) is 2-[4-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)C2CC(c3cccc(F)c3)=NO2)CC1.
What is the InChIKey of 2-[4-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is KFKDKRYXNKXGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-2-6-21-18(25)13-23-7-9-24(10-8-23)19(26)17-12-16(22-27-17)14-4-3-5-15(20)11-14/h3-5,11,17H,2,6-10,12-13H2,1H3,(H,21,25).
What are the key properties of 2-[4-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 376.43 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 55669149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).