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

C18H22FN3O3 — CID 172901359

IUPAC2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1CCN(c2nc3ccc(F)cc3o2)CC1)N1CCOCC1
InChIInChI=1S/C18H22FN3O3/c19-14-1-2-15-16(12-14)25-18(20-15)22-5-3-13(4-6-22)11-17(23)21-7-9-24-10-8-21/h1-2,12-13H,3-11H2
InChIKeyUZVOJXXJPORXOQ-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.43
Rot. Bonds3

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

2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 172901359) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID172901359
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1CCN(c2nc3ccc(F)cc3o2)CC1)N1CCOCC1
InChIInChI=1S/C18H22FN3O3/c19-14-1-2-15-16(12-14)25-18(20-15)22-5-3-13(4-6-22)11-17(23)21-7-9-24-10-8-21/h1-2,12-13H,3-11H2
InChIKeyUZVOJXXJPORXOQ-UHFFFAOYSA-N
XLogP2.43
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]acetamide
CID 171994846
6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole
CID 163357218
2-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 171999613
2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172902586
6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
CID 175649082
1-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899942
2-morpholin-4-yl-1,3-benzoxazol-6-ol
CID 146454135
6-fluoro-2-(4-methylidenepiperidin-1-yl)-1,3-benzoxazole
CID 172901646
2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432232
2-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172902520
1-morpholin-4-yl-2-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 175648113
3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile
CID 51101987

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone (CID 172901359) is 2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone is O=C(CC1CCN(c2nc3ccc(F)cc3o2)CC1)N1CCOCC1.
What is the InChIKey of 2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is UZVOJXXJPORXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c19-14-1-2-15-16(12-14)25-18(20-15)22-5-3-13(4-6-22)11-17(23)21-7-9-24-10-8-21/h1-2,12-13H,3-11H2.
What are the key properties of 2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 347.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 172901359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).