N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide

C27H26N2O4 — CID 130472602

IUPACN-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2nc(-c3ccc(Oc4cccc(OCC5CC5)c4)cc3)oc2c1
InChIInChI=1S/C27H26N2O4/c1-17(28-18(2)30)21-10-13-25-26(14-21)33-27(29-25)20-8-11-22(12-9-20)32-24-5-3-4-23(15-24)31-16-19-6-7-19/h3-5,8-15,17,19H,6-7,16H2,1-2H3,(H,28,30)
InChIKeyARKNVQYKLMKUFB-UHFFFAOYSA-N
MW442.52 g/mol
LogP6.27
Rot. Bonds8

About N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide

N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide (PubChem CID 130472602) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
PubChem CID130472602
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC NameN-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2nc(-c3ccc(Oc4cccc(OCC5CC5)c4)cc3)oc2c1
InChIInChI=1S/C27H26N2O4/c1-17(28-18(2)30)21-10-13-25-26(14-21)33-27(29-25)20-8-11-22(12-9-20)32-24-5-3-4-23(15-24)31-16-19-6-7-19/h3-5,8-15,17,19H,6-7,16H2,1-2H3,(H,28,30)
InChIKeyARKNVQYKLMKUFB-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-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide with MolForge

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Related Compounds

BI 99179
CID 51346964
N-[[(1R,2R)-2-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]cyclopropyl]methyl]acetamide
CID 9998754
N-[[(1R,2R)-2-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]cyclopropyl]methyl]propanamide
CID 10452167
Cyclopropanecarboxylic acid {3-[2-(4-phenyl-butyl)-benzooxazol-7-yl]-propyl}-amide
CID 44349100
N-[1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472810
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide
CID 4282462
3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1497034
4-[(E)-2-[4-[6-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]aniline
CID 25211658
4-[(E)-2-[4-[6-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]aniline
CID 25211660
4-[(E)-2-[4-[6-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline
CID 25211866
4-[(E)-2-[4-[6-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N-methylaniline
CID 25211868
4-[(E)-2-[4-[6-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]-N,N-dimethylaniline
CID 25212069

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
The IUPAC name of N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide (CID 130472602) is N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide is CC(=O)NC(C)c1ccc2nc(-c3ccc(Oc4cccc(OCC5CC5)c4)cc3)oc2c1.
What is the InChIKey of N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
The InChIKey is ARKNVQYKLMKUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-17(28-18(2)30)21-10-13-25-26(14-21)33-27(29-25)20-8-11-22(12-9-20)32-24-5-3-4-23(15-24)31-16-19-6-7-19/h3-5,8-15,17,19H,6-7,16H2,1-2H3,(H,28,30).
What are the key properties of N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
N-[1-[2-[4-[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-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide is sourced from PubChem (CID 130472602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).