N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide

C20H18BrN3O4 — CID 43005699

IUPACN'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H18BrN3O4/c1-12-17(13(2)28-24-12)11-27-18-6-4-3-5-16(18)20(26)23-22-19(25)14-7-9-15(21)10-8-14/h3-10H,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyULDQIMYZXJFPPA-UHFFFAOYSA-N
MW444.29 g/mol
LogP3.71
Rot. Bonds5

About N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide

N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide (PubChem CID 43005699) has the molecular formula C20H18BrN3O4 and a molecular weight of 444.29 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
PubChem CID43005699
Molecular FormulaC20H18BrN3O4
Molecular Weight444.29 g/mol
Exact Mass443.05
IUPAC NameN'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H18BrN3O4/c1-12-17(13(2)28-24-12)11-27-18-6-4-3-5-16(18)20(26)23-22-19(25)14-7-9-15(21)10-8-14/h3-10H,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyULDQIMYZXJFPPA-UHFFFAOYSA-N
XLogP3.71
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.29
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide
CID 25162867
N-[1-(4-bromophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006031
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 36743406
N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 36900169
4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide
CID 35781681
N-(2-acetamidoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006676
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 35828889
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 30533521
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 35892647
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide
CID 29363899
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-6-methylheptan-2-yl]benzamide
CID 29363896
N-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9465498

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide (CID 43005699) is N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide is Cc1noc(C)c1COc1ccccc1C(=O)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide?
The InChIKey is ULDQIMYZXJFPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O4/c1-12-17(13(2)28-24-12)11-27-18-6-4-3-5-16(18)20(26)23-22-19(25)14-7-9-15(21)10-8-14/h3-10H,11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide?
N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide has a molecular weight of 444.29 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide is sourced from PubChem (CID 43005699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).