2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone

C18H23FN4O3 — CID 171996006

IUPAC2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(Cc2noc3cc(F)ccc23)CC1)N1CCOCC1
InChIInChI=1S/C18H23FN4O3/c19-14-1-2-15-16(20-26-17(15)11-14)12-21-3-5-22(6-4-21)13-18(24)23-7-9-25-10-8-23/h1-2,11H,3-10,12-13H2
InChIKeyGWNPDDLKNQROEU-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.94
Rot. Bonds4

About 2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 171996006) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID171996006
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(Cc2noc3cc(F)ccc23)CC1)N1CCOCC1
InChIInChI=1S/C18H23FN4O3/c19-14-1-2-15-16(20-26-17(15)11-14)12-21-3-5-22(6-4-21)13-18(24)23-7-9-25-10-8-23/h1-2,11H,3-10,12-13H2
InChIKeyGWNPDDLKNQROEU-UHFFFAOYSA-N
XLogP0.94
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171998206
3-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-fluoro-1,2-benzoxazole
CID 171704882
N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 17425435
6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
CID 171996239
6-fluoro-3-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171997189
6-fluoro-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171997354
2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone
CID 29202132
1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
CID 171704264
3-[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrrolidin-3-yl]phenol
CID 155258167
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78828494
2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 112796891

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 171996006) is 2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCN(Cc2noc3cc(F)ccc23)CC1)N1CCOCC1.
What is the InChIKey of 2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is GWNPDDLKNQROEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c19-14-1-2-15-16(20-26-17(15)11-14)12-21-3-5-22(6-4-21)13-18(24)23-7-9-25-10-8-23/h1-2,11H,3-10,12-13H2.
What are the key properties of 2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 362.41 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 171996006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).