N'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide

C24H23N3O5 — CID 43003636

IUPACN'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCCn1c(=O)oc2ccccc21
InChIInChI=1S/C24H23N3O5/c1-16(31-19-13-12-17-7-2-3-8-18(17)15-19)23(29)26-25-22(28)11-6-14-27-20-9-4-5-10-21(20)32-24(27)30/h2-5,7-10,12-13,15-16H,6,11,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyMOJONJLBJQARQK-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.14
Rot. Bonds7

About N'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide

N'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide (PubChem CID 43003636) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is N'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide.

Molecular Properties

Compound NameN'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
PubChem CID43003636
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC NameN'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCCn1c(=O)oc2ccccc21
InChIInChI=1S/C24H23N3O5/c1-16(31-19-13-12-17-7-2-3-8-18(17)15-19)23(29)26-25-22(28)11-6-14-27-20-9-4-5-10-21(20)32-24(27)30/h2-5,7-10,12-13,15-16H,6,11,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyMOJONJLBJQARQK-UHFFFAOYSA-N
XLogP3.14
TPSA102.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.14
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

2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide
CID 55379563
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
CID 7779812
5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid
CID 8757642
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
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55560577
propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate
CID 18204942
N'-[3-(4-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 42908764
4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide
CID 55879575
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide
CID 7741918
[(2R)-1-amino-1-oxopropan-2-yl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 41240288

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide?
The IUPAC name of N'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide (CID 43003636) is N'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide.
What is the SMILES notation for N'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide?
The canonical SMILES for N'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide is CC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCCn1c(=O)oc2ccccc21.
What is the InChIKey of N'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide?
The InChIKey is MOJONJLBJQARQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-16(31-19-13-12-17-7-2-3-8-18(17)15-19)23(29)26-25-22(28)11-6-14-27-20-9-4-5-10-21(20)32-24(27)30/h2-5,7-10,12-13,15-16H,6,11,14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide?
N'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide has a molecular weight of 433.46 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide is sourced from PubChem (CID 43003636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).