N-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine

C15H12N2O2S — CID 592364

IUPACN-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine
SMILESON=C(CSc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-17-13(11-6-2-1-3-7-11)10-20-15-16-12-8-4-5-9-14(12)19-15/h1-9,18H,10H2
InChIKeyCCZMUTLUHWAKHJ-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.80
Rot. Bonds4

About N-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine

N-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine (PubChem CID 592364) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine
PubChem CID592364
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine
SMILESON=C(CSc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-17-13(11-6-2-1-3-7-11)10-20-15-16-12-8-4-5-9-14(12)19-15/h1-9,18H,10H2
InChIKeyCCZMUTLUHWAKHJ-UHFFFAOYSA-N
XLogP3.80
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-phenylphenyl)ethanone
CID 602357
2-(1,3-benzoxazol-2-ylsulfanyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 17403508
benzyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 690612
S-(1,3-benzoxazol-2-yl) benzenecarbothioate
CID 794341
2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol
CID 64805983
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-1-(4-phenylphenyl)ethylideneamino]acetamide
CID 7182405
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 935297
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-phenylbenzohydrazide
CID 9471511
(2S)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107822444
4-(1,3-benzoxazol-2-ylsulfanyl)butan-1-ol
CID 43510116
5-(1,3-benzoxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid
CID 62268145
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79404054

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine?
The IUPAC name of N-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine (CID 592364) is N-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine is ON=C(CSc1nc2ccccc2o1)c1ccccc1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine?
The InChIKey is CCZMUTLUHWAKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-17-13(11-6-2-1-3-7-11)10-20-15-16-12-8-4-5-9-14(12)19-15/h1-9,18H,10H2.
What are the key properties of N-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine?
N-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine has a molecular weight of 284.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine is sourced from PubChem (CID 592364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).