5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide

C18H12BrN5O2 — CID 136575695

IUPAC5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide
SMILESO=C(NNc1ncnc2ccccc12)c1cc(-c2ccccc2Br)on1
InChIInChI=1S/C18H12BrN5O2/c19-13-7-3-1-5-11(13)16-9-15(24-26-16)18(25)23-22-17-12-6-2-4-8-14(12)20-10-21-17/h1-10H,(H,23,25)(H,20,21,22)
InChIKeyQVQORBSKVKSDAI-UHFFFAOYSA-N
MW410.23 g/mol
LogP3.80
Rot. Bonds4

About 5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide

5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide (PubChem CID 136575695) has the molecular formula C18H12BrN5O2 and a molecular weight of 410.23 g/mol. Its IUPAC name is 5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide
PubChem CID136575695
Molecular FormulaC18H12BrN5O2
Molecular Weight410.23 g/mol
Exact Mass409.02
IUPAC Name5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide
SMILESO=C(NNc1ncnc2ccccc12)c1cc(-c2ccccc2Br)on1
InChIInChI=1S/C18H12BrN5O2/c19-13-7-3-1-5-11(13)16-9-15(24-26-16)18(25)23-22-17-12-6-2-4-8-14(12)20-10-21-17/h1-10H,(H,23,25)(H,20,21,22)
InChIKeyQVQORBSKVKSDAI-UHFFFAOYSA-N
XLogP3.80
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.23
LogP ≤ 53.80
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

3-bromo-N'-quinazolin-4-ylbenzohydrazide
CID 75445250
methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate
CID 57362719
N-[(quinazolin-4-ylamino)carbamothioyl]benzamide
CID 66573988
2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide
CID 119040707
3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide
CID 136575720
2-(4-methylpiperazin-1-yl)-N'-quinazolin-4-ylacetohydrazide
CID 171933583
N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 135573197
N'-[5-amino-6-(naphthalen-1-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19145054
5-(quinazolin-4-ylamino)benzene-1,3-dicarboxylic acid
CID 21002389
2-bromo-N'-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23479015
(1R,6R)-N-benzyl-6-[(quinazolin-4-ylamino)carbamoyl]cyclohex-3-ene-1-carboxamide
CID 9118407
N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide
CID 142755257

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide (CID 136575695) is 5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide is O=C(NNc1ncnc2ccccc12)c1cc(-c2ccccc2Br)on1.
What is the InChIKey of 5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide?
The InChIKey is QVQORBSKVKSDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN5O2/c19-13-7-3-1-5-11(13)16-9-15(24-26-16)18(25)23-22-17-12-6-2-4-8-14(12)20-10-21-17/h1-10H,(H,23,25)(H,20,21,22).
What are the key properties of 5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide?
5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide has a molecular weight of 410.23 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 136575695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).