N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide

C27H26N2O4 — CID 130472862

IUPACN-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2nc(-c3cccc(Oc4cccc(OCC5CC5)c4)c3)oc2c1
InChIInChI=1S/C27H26N2O4/c1-17(28-18(2)30)20-11-12-25-26(14-20)33-27(29-25)21-5-3-7-23(13-21)32-24-8-4-6-22(15-24)31-16-19-9-10-19/h3-8,11-15,17,19H,9-10,16H2,1-2H3,(H,28,30)
InChIKeyJYELKKINJWIZEJ-UHFFFAOYSA-N
MW442.52 g/mol
LogP6.27
Rot. Bonds8

About N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide

N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide (PubChem CID 130472862) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
PubChem CID130472862
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC NameN-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2nc(-c3cccc(Oc4cccc(OCC5CC5)c4)c3)oc2c1
InChIInChI=1S/C27H26N2O4/c1-17(28-18(2)30)20-11-12-25-26(14-20)33-27(29-25)21-5-3-7-23(13-21)32-24-8-4-6-22(15-24)31-16-19-9-10-19/h3-8,11-15,17,19H,9-10,16H2,1-2H3,(H,28,30)
InChIKeyJYELKKINJWIZEJ-UHFFFAOYSA-N
XLogP6.27
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-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-[3-bromo-4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472842
N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472709
N-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472858
N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide
CID 130472859
N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide
CID 130472744
N-[1-[2-[5-(3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472684
6-bromo-2-[3-(cyclopropylmethoxy)phenyl]-1,3-benzoxazole
CID 23025812
N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
CID 134226841
N-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide
CID 67778633
N-[1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-4-fluoro-1H-pyrazol-3-yl]oxy]propan-2-yl]acetamide
CID 123858906
N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide
CID 134226929
N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
CID 67777812

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
The IUPAC name of N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide (CID 130472862) is N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide is CC(=O)NC(C)c1ccc2nc(-c3cccc(Oc4cccc(OCC5CC5)c4)c3)oc2c1.
What is the InChIKey of N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
The InChIKey is JYELKKINJWIZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-17(28-18(2)30)20-11-12-25-26(14-20)33-27(29-25)21-5-3-7-23(13-21)32-24-8-4-6-22(15-24)31-16-19-9-10-19/h3-8,11-15,17,19H,9-10,16H2,1-2H3,(H,28,30).
What are the key properties of N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide has a molecular weight of 442.52 g/mol, XLogP of 6.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide is sourced from PubChem (CID 130472862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).