N-ethyl-2,2-difluoro-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide

C19H24F3N3O3 — CID 163446060

IUPACN-ethyl-2,2-difluoro-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide
SMILESCCN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)C(F)(F)CO
InChIInChI=1S/C19H24F3N3O3/c1-2-25(18(27)19(21,22)12-26)10-9-24-7-5-13(6-8-24)17-15-4-3-14(20)11-16(15)28-23-17/h3-4,11,13,26H,2,5-10,12H2,1H3
InChIKeyBCPXPZBIZDMKQR-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.62
Rot. Bonds7

About N-ethyl-2,2-difluoro-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide

N-ethyl-2,2-difluoro-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide (PubChem CID 163446060) has the molecular formula C19H24F3N3O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide
PubChem CID163446060
Molecular FormulaC19H24F3N3O3
Molecular Weight399.41 g/mol
Exact Mass399.18
IUPAC NameN-ethyl-2,2-difluoro-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide
SMILESCCN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)C(F)(F)CO
InChIInChI=1S/C19H24F3N3O3/c1-2-25(18(27)19(21,22)12-26)10-9-24-7-5-13(6-8-24)17-15-4-3-14(20)11-16(15)28-23-17/h3-4,11,13,26H,2,5-10,12H2,1H3
InChIKeyBCPXPZBIZDMKQR-UHFFFAOYSA-N
XLogP2.62
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide?
The IUPAC name of N-ethyl-2,2-difluoro-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide (CID 163446060) is N-ethyl-2,2-difluoro-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide.
What is the SMILES notation for N-ethyl-2,2-difluoro-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide?
The canonical SMILES for N-ethyl-2,2-difluoro-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide is CCN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)C(F)(F)CO.
What is the InChIKey of N-ethyl-2,2-difluoro-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide?
The InChIKey is BCPXPZBIZDMKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O3/c1-2-25(18(27)19(21,22)12-26)10-9-24-7-5-13(6-8-24)17-15-4-3-14(20)11-16(15)28-23-17/h3-4,11,13,26H,2,5-10,12H2,1H3.
What are the key properties of N-ethyl-2,2-difluoro-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide?
N-ethyl-2,2-difluoro-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide has a molecular weight of 399.41 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxypropanamide is sourced from PubChem (CID 163446060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).