N-[5-[(3S,4S)-4-carbamoyl-3-fluoropiperidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C19H25FN4O3S — CID 146446920

IUPACN-[5-[(3S,4S)-4-carbamoyl-3-fluoropiperidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(CCCCCNC(=O)c2cc(-c3cccs3)on2)C[C@H]1F
InChIInChI=1S/C19H25FN4O3S/c20-14-12-24(9-6-13(14)18(21)25)8-3-1-2-7-22-19(26)15-11-16(27-23-15)17-5-4-10-28-17/h4-5,10-11,13-14H,1-3,6-9,12H2,(H2,21,25)(H,22,26)/t13-,14-/m1/s1
InChIKeyAPYVEXOJZCWORL-ZIAGYGMSSA-N
MW408.50 g/mol
LogP2.45
Rot. Bonds9

About N-[5-[(3S,4S)-4-carbamoyl-3-fluoropiperidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[5-[(3S,4S)-4-carbamoyl-3-fluoropiperidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 146446920) has the molecular formula C19H25FN4O3S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[5-[(3S,4S)-4-carbamoyl-3-fluoropiperidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3S,4S)-4-carbamoyl-3-fluoropiperidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID146446920
Molecular FormulaC19H25FN4O3S
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC NameN-[5-[(3S,4S)-4-carbamoyl-3-fluoropiperidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(CCCCCNC(=O)c2cc(-c3cccs3)on2)C[C@H]1F
InChIInChI=1S/C19H25FN4O3S/c20-14-12-24(9-6-13(14)18(21)25)8-3-1-2-7-22-19(26)15-11-16(27-23-15)17-5-4-10-28-17/h4-5,10-11,13-14H,1-3,6-9,12H2,(H2,21,25)(H,22,26)/t13-,14-/m1/s1
InChIKeyAPYVEXOJZCWORL-ZIAGYGMSSA-N
XLogP2.45
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S,4S)-4-carbamoyl-3-fluoropiperidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-[(3S,4S)-4-carbamoyl-3-fluoropiperidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 146446920) is N-[5-[(3S,4S)-4-carbamoyl-3-fluoropiperidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-[(3S,4S)-4-carbamoyl-3-fluoropiperidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-[(3S,4S)-4-carbamoyl-3-fluoropiperidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is NC(=O)[C@@H]1CCN(CCCCCNC(=O)c2cc(-c3cccs3)on2)C[C@H]1F.
What is the InChIKey of N-[5-[(3S,4S)-4-carbamoyl-3-fluoropiperidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is APYVEXOJZCWORL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H25FN4O3S/c20-14-12-24(9-6-13(14)18(21)25)8-3-1-2-7-22-19(26)15-11-16(27-23-15)17-5-4-10-28-17/h4-5,10-11,13-14H,1-3,6-9,12H2,(H2,21,25)(H,22,26)/t13-,14-/m1/s1.
What are the key properties of N-[5-[(3S,4S)-4-carbamoyl-3-fluoropiperidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[5-[(3S,4S)-4-carbamoyl-3-fluoropiperidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3S,4S)-4-carbamoyl-3-fluoropiperidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146446920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).