1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C18H18FN3O2S — CID 160716138

IUPAC1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)N2CCC(c3noc4ccc(F)cc34)CC2)n1
InChIInChI=1S/C18H18FN3O2S/c1-11-10-25-16(20-11)9-17(23)22-6-4-12(5-7-22)18-14-8-13(19)2-3-15(14)24-21-18/h2-3,8,10,12H,4-7,9H2,1H3
InChIKeyRSMOBSSUZREZTR-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.68
Rot. Bonds3

About 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 160716138) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID160716138
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)N2CCC(c3noc4ccc(F)cc34)CC2)n1
InChIInChI=1S/C18H18FN3O2S/c1-11-10-25-16(20-11)9-17(23)22-6-4-12(5-7-22)18-14-8-13(19)2-3-15(14)24-21-18/h2-3,8,10,12H,4-7,9H2,1H3
InChIKeyRSMOBSSUZREZTR-UHFFFAOYSA-N
XLogP3.68
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone with MolForge

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Related Compounds

CID 10367486
CID 10367486
6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one
CID 44326751
N-1,2-Benzisoxazol-3-yl-4-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 68780004
4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71571565
5-Fluoro-3-(1-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl}-4-piperidinyl)-1,2-benzisoxazole
CID 984852
1-[4-(5-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone
CID 2241612
6-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-4H-1-benzothiophen-7-one
CID 11795165
4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(2-propyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 89612908
4-(5-fluoro-1,2-benzoxazol-3-yl)-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 89626946
Ethyl 2-[2-[[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 89626983
5-Fluoro-3-[1-[6-(4-methyl-1,3-thiazol-2-yl)pyridazin-3-yl]piperidin-4-yl]-1,2-benzoxazole
CID 89628102
US11306078, Example 1.031
CID 141749003

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 160716138) is 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1csc(CC(=O)N2CCC(c3noc4ccc(F)cc34)CC2)n1.
What is the InChIKey of 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is RSMOBSSUZREZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-11-10-25-16(20-11)9-17(23)22-6-4-12(5-7-22)18-14-8-13(19)2-3-15(14)24-21-18/h2-3,8,10,12H,4-7,9H2,1H3.
What are the key properties of 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 359.43 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 160716138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).