N-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide

C25H25N3O5 — CID 130472858

IUPACN-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
SMILESCOCCOc1cccc(Oc2ccc(-c3nc4ccc(C(C)NC(C)=O)cc4o3)nc2)c1
InChIInChI=1S/C25H25N3O5/c1-16(27-17(2)29)18-7-9-22-24(13-18)33-25(28-22)23-10-8-21(15-26-23)32-20-6-4-5-19(14-20)31-12-11-30-3/h4-10,13-16H,11-12H2,1-3H3,(H,27,29)
InChIKeyBBYBNBMPTXPONA-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.90
Rot. Bonds9

About N-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide

N-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide (PubChem CID 130472858) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
PubChem CID130472858
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC NameN-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
SMILESCOCCOc1cccc(Oc2ccc(-c3nc4ccc(C(C)NC(C)=O)cc4o3)nc2)c1
InChIInChI=1S/C25H25N3O5/c1-16(27-17(2)29)18-7-9-22-24(13-18)33-25(28-22)23-10-8-21(15-26-23)32-20-6-4-5-19(14-20)31-12-11-30-3/h4-10,13-16H,11-12H2,1-3H3,(H,27,29)
InChIKeyBBYBNBMPTXPONA-UHFFFAOYSA-N
XLogP4.90
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-[2-[5-(3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472684
N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472862
N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472709
N-[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]acetamide
CID 57344092
N-[1-[2-[3-bromo-4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472842
N-[1-[2-[3-(3-butoxyphenoxy)azetidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472776
N-[1-[6-(3-ethoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68759728
N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68761728
N-[(2S)-1-[[6-[6-(2,2-difluoropropoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
CID 67777787
N-[1-(2-methylsulfanyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 130472766
[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid
CID 67778918
N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide
CID 130472859

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
The IUPAC name of N-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide (CID 130472858) is N-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide is COCCOc1cccc(Oc2ccc(-c3nc4ccc(C(C)NC(C)=O)cc4o3)nc2)c1.
What is the InChIKey of N-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
The InChIKey is BBYBNBMPTXPONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-16(27-17(2)29)18-7-9-22-24(13-18)33-25(28-22)23-10-8-21(15-26-23)32-20-6-4-5-19(14-20)31-12-11-30-3/h4-10,13-16H,11-12H2,1-3H3,(H,27,29).
What are the key properties of N-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
N-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide has a molecular weight of 447.49 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide is sourced from PubChem (CID 130472858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).