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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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).