N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine

C14H10BrN3O — CID 6243908

IUPACN-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine
SMILESBrc1ccc(/C=N\Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C14H10BrN3O/c15-11-7-5-10(6-8-11)9-16-18-14-17-12-3-1-2-4-13(12)19-14/h1-9H,(H,17,18)/b16-9-
InChIKeyWDXXKZQGXPUKCW-SXGWCWSVSA-N
MW316.16 g/mol
LogP4.04
Rot. Bonds3

About N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine

N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine (PubChem CID 6243908) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine
PubChem CID6243908
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC NameN-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine
SMILESBrc1ccc(/C=N\Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C14H10BrN3O/c15-11-7-5-10(6-8-11)9-16-18-14-17-12-3-1-2-4-13(12)19-14/h1-9H,(H,17,18)/b16-9-
InChIKeyWDXXKZQGXPUKCW-SXGWCWSVSA-N
XLogP4.04
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 54.04
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-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 122707158
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 6164765
N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 3111005
4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 4599440
N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 6115065
N-[(Z)-(3-nitrophenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 122707156
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine
CID 6011166
2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
CID 6215281
2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol
CID 137165787
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine
CID 4047872
N-[(Z)-[(3E)-3-(1,3-benzoxazol-2-ylhydrazinylidene)butan-2-ylidene]amino]-1,3-benzoxazol-2-amine
CID 171038353
2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 137030483

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine (CID 6243908) is N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine is Brc1ccc(/C=N\Nc2nc3ccccc3o2)cc1.
What is the InChIKey of N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine?
The InChIKey is WDXXKZQGXPUKCW-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-11-7-5-10(6-8-11)9-16-18-14-17-12-3-1-2-4-13(12)19-14/h1-9H,(H,17,18)/b16-9-.
What are the key properties of N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine?
N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine has a molecular weight of 316.16 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 6243908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).