N-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide

C19H21N3O4 — CID 57344092

IUPACN-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide
SMILESCCOc1ccc2nc(-c3ccc(OC[C@H](C)NC(C)=O)cn3)oc2c1
InChIInChI=1S/C19H21N3O4/c1-4-24-14-5-7-16-18(9-14)26-19(22-16)17-8-6-15(10-20-17)25-11-12(2)21-13(3)23/h5-10,12H,4,11H2,1-3H3,(H,21,23)/t12-/m0/s1
InChIKeyADHDEZRLSWZHKE-LBPRGKRZSA-N
MW355.39 g/mol
LogP3.19
Rot. Bonds7

About N-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide

N-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide (PubChem CID 57344092) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide
PubChem CID57344092
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide
SMILESCCOc1ccc2nc(-c3ccc(OC[C@H](C)NC(C)=O)cn3)oc2c1
InChIInChI=1S/C19H21N3O4/c1-4-24-14-5-7-16-18(9-14)26-19(22-16)17-8-6-15(10-20-17)25-11-12(2)21-13(3)23/h5-10,12H,4,11H2,1-3H3,(H,21,23)/t12-/m0/s1
InChIKeyADHDEZRLSWZHKE-LBPRGKRZSA-N
XLogP3.19
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide 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 N-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide (CID 57344092) is N-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide is CCOc1ccc2nc(-c3ccc(OC[C@H](C)NC(C)=O)cn3)oc2c1.
What is the InChIKey of N-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide?
The InChIKey is ADHDEZRLSWZHKE-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-4-24-14-5-7-16-18(9-14)26-19(22-16)17-8-6-15(10-20-17)25-11-12(2)21-13(3)23/h5-10,12H,4,11H2,1-3H3,(H,21,23)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide?
N-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide has a molecular weight of 355.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide is sourced from PubChem (CID 57344092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).