2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid

C14H18N2O5 — CID 63747234

IUPAC2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)N1CCCOCC1
InChIInChI=1S/C14H18N2O5/c17-13(18)10-21-12-5-2-1-4-11(12)15-14(19)16-6-3-8-20-9-7-16/h1-2,4-5H,3,6-10H2,(H,15,19)(H,17,18)
InChIKeyTWHOPCKLAWSJGF-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.40
Rot. Bonds4

About 2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid

2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid (PubChem CID 63747234) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid
PubChem CID63747234
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)N1CCCOCC1
InChIInChI=1S/C14H18N2O5/c17-13(18)10-21-12-5-2-1-4-11(12)15-14(19)16-6-3-8-20-9-7-16/h1-2,4-5H,3,6-10H2,(H,15,19)(H,17,18)
InChIKeyTWHOPCKLAWSJGF-UHFFFAOYSA-N
XLogP1.40
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(morpholine-4-carbonylamino)phenoxy]acetic acid
CID 61187144
2-[2-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 63745167
2-hydroxy-3-(1,4-oxazepane-4-carbonylamino)benzoic acid
CID 104833689
N-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide
CID 79155746
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462
2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid
CID 63747068
N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide
CID 47373598
4-benzoyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1,4-diazepane-1-carboxamide
CID 112825360
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide
CID 56824373
5-fluoro-2-(1,4-oxazepane-4-carbonylamino)benzoic acid
CID 62967632
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone
CID 54828242

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid?
The IUPAC name of 2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid (CID 63747234) is 2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid is O=C(O)COc1ccccc1NC(=O)N1CCCOCC1.
What is the InChIKey of 2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid?
The InChIKey is TWHOPCKLAWSJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-13(18)10-21-12-5-2-1-4-11(12)15-14(19)16-6-3-8-20-9-7-16/h1-2,4-5H,3,6-10H2,(H,15,19)(H,17,18).
What are the key properties of 2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid?
2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid is sourced from PubChem (CID 63747234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).