N-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide

C12H10BrN3O2 — CID 842250

IUPACN-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NN=Cc2ccccc2Br)no1
InChIInChI=1S/C12H10BrN3O2/c1-8-6-11(16-18-8)12(17)15-14-7-9-4-2-3-5-10(9)13/h2-7H,1H3,(H,15,17)
InChIKeyBHFUSBIVVNIJTA-UHFFFAOYSA-N
MW308.13 g/mol
LogP2.51
Rot. Bonds3

About N-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 842250) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.13 g/mol. Its IUPAC name is N-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID842250
Molecular FormulaC12H10BrN3O2
Molecular Weight308.13 g/mol
Exact Mass307.00
IUPAC NameN-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NN=Cc2ccccc2Br)no1
InChIInChI=1S/C12H10BrN3O2/c1-8-6-11(16-18-8)12(17)15-14-7-9-4-2-3-5-10(9)13/h2-7H,1H3,(H,15,17)
InChIKeyBHFUSBIVVNIJTA-UHFFFAOYSA-N
XLogP2.51
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide
CID 760228
N-[(E)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 167450631
N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 45054611
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide
CID 135782124
N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 94847876
N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 45054503
N-[(E)-(2-bromophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 55352793
N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027531
N-(2-bromo-1-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 114311175
N-[(Z)-(2-bromophenyl)methylideneamino]-3,5-dichloro-2-hydroxybenzamide
CID 7326637
N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136794117
N-[(2-bromophenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 5235917

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide (CID 842250) is N-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NN=Cc2ccccc2Br)no1.
What is the InChIKey of N-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is BHFUSBIVVNIJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c1-8-6-11(16-18-8)12(17)15-14-7-9-4-2-3-5-10(9)13/h2-7H,1H3,(H,15,17).
What are the key properties of N-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 308.13 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 842250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).