N'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide

C25H29N3O5 — CID 43039183

IUPACN'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)cc1
InChIInChI=1S/C25H29N3O5/c1-5-31-20-8-10-21(11-9-20)32-18(4)25(30)28-27-23(29)12-13-24-26-15-22(33-24)19-7-6-16(2)17(3)14-19/h6-11,14-15,18H,5,12-13H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyCHLHMYCKZAYVPO-UHFFFAOYSA-N
MW451.52 g/mol
LogP3.90
Rot. Bonds9

About N'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide

N'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide (PubChem CID 43039183) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is N'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide
PubChem CID43039183
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC NameN'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)cc1
InChIInChI=1S/C25H29N3O5/c1-5-31-20-8-10-21(11-9-20)32-18(4)25(30)28-27-23(29)12-13-24-26-15-22(33-24)19-7-6-16(2)17(3)14-19/h6-11,14-15,18H,5,12-13H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyCHLHMYCKZAYVPO-UHFFFAOYSA-N
XLogP3.90
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.90
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-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide
CID 134011055
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9343276
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
CID 43044730
N'-[2-(4-ethoxyphenoxy)propanoyl]-4-phenoxybutanehydrazide
CID 43003788
(2R)-2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 8573981
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 78727477
N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784923
N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65183522
3-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 133150016
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
(2R)-2-(3,4-dimethylphenoxy)-N-[4-(4-ethoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 40871934
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805

Frequently Asked Questions

What is the IUPAC name of N'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide?
The IUPAC name of N'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide (CID 43039183) is N'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide.
What is the SMILES notation for N'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide?
The canonical SMILES for N'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)cc1.
What is the InChIKey of N'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide?
The InChIKey is CHLHMYCKZAYVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-5-31-20-8-10-21(11-9-20)32-18(4)25(30)28-27-23(29)12-13-24-26-15-22(33-24)19-7-6-16(2)17(3)14-19/h6-11,14-15,18H,5,12-13H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide?
N'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide has a molecular weight of 451.52 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide is sourced from PubChem (CID 43039183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).