N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide

C16H19FN4O2 — CID 86907151

IUPACN-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)Nc3ccccc3F)CC2)no1
InChIInChI=1S/C16H19FN4O2/c1-12-10-13(19-23-12)11-20-6-8-21(9-7-20)16(22)18-15-5-3-2-4-14(15)17/h2-5,10H,6-9,11H2,1H3,(H,18,22)
InChIKeyOIILTIXOAYXCLU-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.47
Rot. Bonds3

About N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide

N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 86907151) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
PubChem CID86907151
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)Nc3ccccc3F)CC2)no1
InChIInChI=1S/C16H19FN4O2/c1-12-10-13(19-23-12)11-20-6-8-21(9-7-20)16(22)18-15-5-3-2-4-14(15)17/h2-5,10H,6-9,11H2,1H3,(H,18,22)
InChIKeyOIILTIXOAYXCLU-UHFFFAOYSA-N
XLogP2.47
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbothioamide
CID 9284434
N-(2-fluorophenyl)-4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 90571599
N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53078519
N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184554
3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119835222
N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide
CID 62885016
(2-chloro-6-fluorophenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 110646489
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 95134326
4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113111831
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110422964
N-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 86908237
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 60504200

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide (CID 86907151) is N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide is Cc1cc(CN2CCN(C(=O)Nc3ccccc3F)CC2)no1.
What is the InChIKey of N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is OIILTIXOAYXCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-12-10-13(19-23-12)11-20-6-8-21(9-7-20)16(22)18-15-5-3-2-4-14(15)17/h2-5,10H,6-9,11H2,1H3,(H,18,22).
What are the key properties of N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?
N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 86907151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).