(2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide

C14H11N5O3 — CID 135839474

IUPAC(2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide
SMILESO/N=C(C(=N/c1noc2ncccc12)/NO)\c1ccccc1
InChIInChI=1S/C14H11N5O3/c20-17-11(9-5-2-1-3-6-9)13(18-21)16-12-10-7-4-8-15-14(10)22-19-12/h1-8,20-21H,(H,16,18,19)/b17-11+
InChIKeyDIPUTAVEXSYDPC-GZTJUZNOSA-N
MW297.27 g/mol
LogP2.11
Rot. Bonds3

About (2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide

(2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide (PubChem CID 135839474) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is (2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide.

Molecular Properties

Compound Name(2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide
PubChem CID135839474
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC Name(2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide
SMILESO/N=C(C(=N/c1noc2ncccc12)/NO)\c1ccccc1
InChIInChI=1S/C14H11N5O3/c20-17-11(9-5-2-1-3-6-9)13(18-21)16-12-10-7-4-8-15-14(10)22-19-12/h1-8,20-21H,(H,16,18,19)/b17-11+
InChIKeyDIPUTAVEXSYDPC-GZTJUZNOSA-N
XLogP2.11
TPSA116.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

(2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide
CID 135678633
N-hydroxy-2-hydroxyimino-2-phenyl-N'-(3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-yl)ethanimidamide
CID 135402124
N-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
CID 129151482
1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine
CID 133053647
N'-[3-[(2-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide
CID 135402089
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
(2Z)-N-benzyl-2-hydroxyimino-2-phenylacetamide
CID 6401232
(2E)-2-(1,2-benzoxazol-3-yl)-2-hydroxyiminoacetic acid
CID 135604901
(2E,3E)-2,3-bis(hydroxyimino)-3-phenylpropanenitrile
CID 136857277
N-([1,2]oxazolo[5,4-b]pyridin-3-yl)propanamide
CID 42110353
N-hydroxy-N'-isoquinolin-1-ylethanimidamide
CID 154033700
N-(2-methyl-1-phenylprop-2-enylidene)hydroxylamine
CID 73116354

Frequently Asked Questions

What is the IUPAC name of (2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide?
The IUPAC name of (2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide (CID 135839474) is (2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide.
What is the SMILES notation for (2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide?
The canonical SMILES for (2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide is O/N=C(C(=N/c1noc2ncccc12)/NO)\c1ccccc1.
What is the InChIKey of (2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide?
The InChIKey is DIPUTAVEXSYDPC-GZTJUZNOSA-N. The full InChI is InChI=1S/C14H11N5O3/c20-17-11(9-5-2-1-3-6-9)13(18-21)16-12-10-7-4-8-15-14(10)22-19-12/h1-8,20-21H,(H,16,18,19)/b17-11+.
What are the key properties of (2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide?
(2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide has a molecular weight of 297.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide is sourced from PubChem (CID 135839474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).