N-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide

C21H22FN3O3 — CID 138049018

IUPACN-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide
SMILESO=C(Cc1ccoc1)NC1(C2CCN(c3nc4c(F)cccc4o3)CC2)CC1
InChIInChI=1S/C21H22FN3O3/c22-16-2-1-3-17-19(16)23-20(28-17)25-9-4-15(5-10-25)21(7-8-21)24-18(26)12-14-6-11-27-13-14/h1-3,6,11,13,15H,4-5,7-10,12H2,(H,24,26)
InChIKeyCVTDYRRGMCBDLI-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.67
Rot. Bonds5

About N-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide

N-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide (PubChem CID 138049018) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide
PubChem CID138049018
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide
SMILESO=C(Cc1ccoc1)NC1(C2CCN(c3nc4c(F)cccc4o3)CC2)CC1
InChIInChI=1S/C21H22FN3O3/c22-16-2-1-3-17-19(16)23-20(28-17)25-9-4-15(5-10-25)21(7-8-21)24-18(26)12-14-6-11-27-13-14/h1-3,6,11,13,15H,4-5,7-10,12H2,(H,24,26)
InChIKeyCVTDYRRGMCBDLI-UHFFFAOYSA-N
XLogP3.67
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide with MolForge

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Related Compounds

1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid
CID 122047375
(2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 122051706
4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole
CID 138019173
[4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol
CID 136537402
1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol
CID 138008387
[4-(4-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 146090843
1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide
CID 46698256
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 121109534
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazol-4-amine
CID 79893538
1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
CID 138008313
trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol
CID 126790788
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide?
The IUPAC name of N-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide (CID 138049018) is N-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide.
What is the SMILES notation for N-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide?
The canonical SMILES for N-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide is O=C(Cc1ccoc1)NC1(C2CCN(c3nc4c(F)cccc4o3)CC2)CC1.
What is the InChIKey of N-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide?
The InChIKey is CVTDYRRGMCBDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c22-16-2-1-3-17-19(16)23-20(28-17)25-9-4-15(5-10-25)21(7-8-21)24-18(26)12-14-6-11-27-13-14/h1-3,6,11,13,15H,4-5,7-10,12H2,(H,24,26).
What are the key properties of N-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide?
N-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide has a molecular weight of 383.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide is sourced from PubChem (CID 138049018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).