2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide

C23H21N3O5 — CID 55379563

IUPAC2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C23H21N3O5/c1-15(30-18-11-10-16-6-2-3-7-17(16)14-18)22(28)25-24-21(27)12-13-26-19-8-4-5-9-20(19)31-23(26)29/h2-11,14-15H,12-13H2,1H3,(H,24,27)(H,25,28)
InChIKeyHUBQZFBVCWTREN-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.75
Rot. Bonds6

About 2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide

2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide (PubChem CID 55379563) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide
PubChem CID55379563
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C23H21N3O5/c1-15(30-18-11-10-16-6-2-3-7-17(16)14-18)22(28)25-24-21(27)12-13-26-19-8-4-5-9-20(19)31-23(26)29/h2-11,14-15H,12-13H2,1H3,(H,24,27)(H,25,28)
InChIKeyHUBQZFBVCWTREN-UHFFFAOYSA-N
XLogP2.75
TPSA102.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
CID 43003636
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
CID 7779812
methyl 4-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-4-oxobutanoate
CID 8757583
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727796
N'-[3-(2-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 55342358
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid
CID 8757642
N'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
CID 27845184
N'-[3-(4-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 42908764
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42888994
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16563622
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
CID 30707470

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide?
The IUPAC name of 2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide (CID 55379563) is 2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide?
The canonical SMILES for 2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide is CC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of 2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide?
The InChIKey is HUBQZFBVCWTREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-15(30-18-11-10-16-6-2-3-7-17(16)14-18)22(28)25-24-21(27)12-13-26-19-8-4-5-9-20(19)31-23(26)29/h2-11,14-15H,12-13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide?
2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide has a molecular weight of 419.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide is sourced from PubChem (CID 55379563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).