4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

C17H17FN4O2S — CID 71571565

IUPAC4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(c3noc4ccc(F)cc34)CC2)n1
InChIInChI=1S/C17H17FN4O2S/c1-10-9-25-16(19-10)20-17(23)22-6-4-11(5-7-22)15-13-8-12(18)2-3-14(13)24-21-15/h2-3,8-9,11H,4-7H2,1H3,(H,19,20,23)
InChIKeyFVUFBPNWJXKJNV-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.14
Rot. Bonds2

About 4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 71571565) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID71571565
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(c3noc4ccc(F)cc34)CC2)n1
InChIInChI=1S/C17H17FN4O2S/c1-10-9-25-16(19-10)20-17(23)22-6-4-11(5-7-22)15-13-8-12(18)2-3-14(13)24-21-15/h2-3,8-9,11H,4-7H2,1H3,(H,19,20,23)
InChIKeyFVUFBPNWJXKJNV-UHFFFAOYSA-N
XLogP4.14
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 71571565) is 4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is Cc1csc(NC(=O)N2CCC(c3noc4ccc(F)cc34)CC2)n1.
What is the InChIKey of 4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is FVUFBPNWJXKJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-10-9-25-16(19-10)20-17(23)22-6-4-11(5-7-22)15-13-8-12(18)2-3-14(13)24-21-15/h2-3,8-9,11H,4-7H2,1H3,(H,19,20,23).
What are the key properties of 4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71571565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).