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

C22H19N3O4 — CID 130472684

IUPACN-[1-[2-[5-(3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2nc(-c3ccc(Oc4cccc(O)c4)cn3)oc2c1
InChIInChI=1S/C22H19N3O4/c1-13(24-14(2)26)15-6-8-19-21(10-15)29-22(25-19)20-9-7-18(12-23-20)28-17-5-3-4-16(27)11-17/h3-13,27H,1-2H3,(H,24,26)
InChIKeySAKCHTDYAVZZCC-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.58
Rot. Bonds5

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

N-[1-[2-[5-(3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide (PubChem CID 130472684) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[1-[2-[5-(3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[5-(3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
PubChem CID130472684
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[1-[2-[5-(3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2nc(-c3ccc(Oc4cccc(O)c4)cn3)oc2c1
InChIInChI=1S/C22H19N3O4/c1-13(24-14(2)26)15-6-8-19-21(10-15)29-22(25-19)20-9-7-18(12-23-20)28-17-5-3-4-16(27)11-17/h3-13,27H,1-2H3,(H,24,26)
InChIKeySAKCHTDYAVZZCC-UHFFFAOYSA-N
XLogP4.58
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-[5-[3-(2-methoxyethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472858
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-[(2S)-1-[[6-[6-(2,2-difluoropropoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
CID 67777787
N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68761728
N-[1-(2-methylsulfanyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 130472766
N-[1-[6-(3-ethoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68759728
N-[1-[2-[3-(3-butoxyphenoxy)azetidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472776
N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
CID 67777812
[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid
CID 67778918

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[5-(3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
The IUPAC name of N-[1-[2-[5-(3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide (CID 130472684) is N-[1-[2-[5-(3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[2-[5-(3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[2-[5-(3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide is CC(=O)NC(C)c1ccc2nc(-c3ccc(Oc4cccc(O)c4)cn3)oc2c1.
What is the InChIKey of N-[1-[2-[5-(3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
The InChIKey is SAKCHTDYAVZZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-13(24-14(2)26)15-6-8-19-21(10-15)29-22(25-19)20-9-7-18(12-23-20)28-17-5-3-4-16(27)11-17/h3-13,27H,1-2H3,(H,24,26).
What are the key properties of N-[1-[2-[5-(3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
N-[1-[2-[5-(3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide has a molecular weight of 389.41 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[5-(3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide is sourced from PubChem (CID 130472684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).