(NZ)-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]methylidene]hydroxylamine

C14H9BrN2O2 — CID 99967867

IUPAC(NZ)-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]methylidene]hydroxylamine
SMILESO/N=C\c1ccc2oc(-c3ccccc3Br)nc2c1
InChIInChI=1S/C14H9BrN2O2/c15-11-4-2-1-3-10(11)14-17-12-7-9(8-16-18)5-6-13(12)19-14/h1-8,18H/b16-8-
InChIKeyNQAGHKVXGJCIHJ-PXNMLYILSA-N
MW317.14 g/mol
LogP4.07
Rot. Bonds2

About (NZ)-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]methylidene]hydroxylamine

(NZ)-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]methylidene]hydroxylamine (PubChem CID 99967867) has the molecular formula C14H9BrN2O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is (NZ)-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]methylidene]hydroxylamine
PubChem CID99967867
Molecular FormulaC14H9BrN2O2
Molecular Weight317.14 g/mol
Exact Mass315.98
IUPAC Name(NZ)-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]methylidene]hydroxylamine
SMILESO/N=C\c1ccc2oc(-c3ccccc3Br)nc2c1
InChIInChI=1S/C14H9BrN2O2/c15-11-4-2-1-3-10(11)14-17-12-7-9(8-16-18)5-6-13(12)19-14/h1-8,18H/b16-8-
InChIKeyNQAGHKVXGJCIHJ-PXNMLYILSA-N
XLogP4.07
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3125081
1-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]amino]-3-chloropropan-2-ol
CID 168638674
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
CID 2275559
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide
CID 3998301
2-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitrophenol
CID 1079439
3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide
CID 155511738
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide
CID 1048657
2,5-bis(5-bromo-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 142681394
(NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine
CID 119083195
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide
CID 23731964
4-bromo-2-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 1125948
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 2274949

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]methylidene]hydroxylamine (CID 99967867) is (NZ)-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]methylidene]hydroxylamine is O/N=C\c1ccc2oc(-c3ccccc3Br)nc2c1.
What is the InChIKey of (NZ)-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]methylidene]hydroxylamine?
The InChIKey is NQAGHKVXGJCIHJ-PXNMLYILSA-N. The full InChI is InChI=1S/C14H9BrN2O2/c15-11-4-2-1-3-10(11)14-17-12-7-9(8-16-18)5-6-13(12)19-14/h1-8,18H/b16-8-.
What are the key properties of (NZ)-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]methylidene]hydroxylamine?
(NZ)-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]methylidene]hydroxylamine has a molecular weight of 317.14 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]methylidene]hydroxylamine is sourced from PubChem (CID 99967867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).