N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide

C21H29FN4O2 — CID 78899257

IUPACN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(Cc2cc(C)no2)CC1)C(C)c1ccc(F)cc1
InChIInChI=1S/C21H29FN4O2/c1-4-26(17(3)18-5-7-19(22)8-6-18)21(27)15-25-11-9-24(10-12-25)14-20-13-16(2)23-28-20/h5-8,13,17H,4,9-12,14-15H2,1-3H3
InChIKeyFJVSDHQMBWBWNF-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.85
Rot. Bonds7

About N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 78899257) has the molecular formula C21H29FN4O2 and a molecular weight of 388.49 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID78899257
Molecular FormulaC21H29FN4O2
Molecular Weight388.49 g/mol
Exact Mass388.23
IUPAC NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(Cc2cc(C)no2)CC1)C(C)c1ccc(F)cc1
InChIInChI=1S/C21H29FN4O2/c1-4-26(17(3)18-5-7-19(22)8-6-18)21(27)15-25-11-9-24(10-12-25)14-20-13-16(2)23-28-20/h5-8,13,17H,4,9-12,14-15H2,1-3H3
InChIKeyFJVSDHQMBWBWNF-UHFFFAOYSA-N
XLogP2.85
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 87012516
N-cyclopropyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 87015164
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide
CID 86904501
4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide
CID 86969723
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 46684613
N-ethyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722178
N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722176
[2-(4-fluorophenyl)cyclopropyl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51295547
(2R)-2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 79024601
5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 94651558
N,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide
CID 95785641
[5-(4-fluorophenyl)furan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 39979395

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 78899257) is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide is CCN(C(=O)CN1CCN(Cc2cc(C)no2)CC1)C(C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is FJVSDHQMBWBWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O2/c1-4-26(17(3)18-5-7-19(22)8-6-18)21(27)15-25-11-9-24(10-12-25)14-20-13-16(2)23-28-20/h5-8,13,17H,4,9-12,14-15H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 78899257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).