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

C20H28FN3O3 — CID 163869882

IUPAC(2S)-N-ethyl-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-hydroxypropanamide
SMILESCCN(CCCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)[C@H](C)O
InChIInChI=1S/C20H28FN3O3/c1-3-24(20(26)14(2)25)10-4-9-23-11-7-15(8-12-23)19-17-6-5-16(21)13-18(17)27-22-19/h5-6,13-15,25H,3-4,7-12H2,1-2H3/t14-/m0/s1
InChIKeyPJWKDVIAVIYPPN-AWEZNQCLSA-N
MW377.46 g/mol
LogP2.77
Rot. Bonds7

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

(2S)-N-ethyl-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-hydroxypropanamide (PubChem CID 163869882) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is (2S)-N-ethyl-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-hydroxypropanamide
PubChem CID163869882
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Name(2S)-N-ethyl-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-hydroxypropanamide
SMILESCCN(CCCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)[C@H](C)O
InChIInChI=1S/C20H28FN3O3/c1-3-24(20(26)14(2)25)10-4-9-23-11-7-15(8-12-23)19-17-6-5-16(21)13-18(17)27-22-19/h5-6,13-15,25H,3-4,7-12H2,1-2H3/t14-/m0/s1
InChIKeyPJWKDVIAVIYPPN-AWEZNQCLSA-N
XLogP2.77
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-ethyl-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-hydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-hydroxypropanamide?
The IUPAC name of (2S)-N-ethyl-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-hydroxypropanamide (CID 163869882) is (2S)-N-ethyl-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-ethyl-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-ethyl-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-hydroxypropanamide is CCN(CCCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)[C@H](C)O.
What is the InChIKey of (2S)-N-ethyl-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-hydroxypropanamide?
The InChIKey is PJWKDVIAVIYPPN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-3-24(20(26)14(2)25)10-4-9-23-11-7-15(8-12-23)19-17-6-5-16(21)13-18(17)27-22-19/h5-6,13-15,25H,3-4,7-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-N-ethyl-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-hydroxypropanamide?
(2S)-N-ethyl-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-hydroxypropanamide has a molecular weight of 377.46 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-2-hydroxypropanamide is sourced from PubChem (CID 163869882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).