(NZ)-N-[(3-methoxyphenyl)-(1,3-oxazol-4-yl)methylidene]hydroxylamine

C11H10N2O3 — CID 121412947

IUPAC(NZ)-N-[(3-methoxyphenyl)-(1,3-oxazol-4-yl)methylidene]hydroxylamine
SMILESCOc1cccc(/C(=N/O)c2cocn2)c1
InChIInChI=1S/C11H10N2O3/c1-15-9-4-2-3-8(5-9)11(13-14)10-6-16-7-12-10/h2-7,14H,1H3/b13-11-
InChIKeyCNDHJBUZOBNGND-QBFSEMIESA-N
MW218.21 g/mol
LogP1.91
Rot. Bonds3

About (NZ)-N-[(3-methoxyphenyl)-(1,3-oxazol-4-yl)methylidene]hydroxylamine

(NZ)-N-[(3-methoxyphenyl)-(1,3-oxazol-4-yl)methylidene]hydroxylamine (PubChem CID 121412947) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is (NZ)-N-[(3-methoxyphenyl)-(1,3-oxazol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3-methoxyphenyl)-(1,3-oxazol-4-yl)methylidene]hydroxylamine
PubChem CID121412947
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name(NZ)-N-[(3-methoxyphenyl)-(1,3-oxazol-4-yl)methylidene]hydroxylamine
SMILESCOc1cccc(/C(=N/O)c2cocn2)c1
InChIInChI=1S/C11H10N2O3/c1-15-9-4-2-3-8(5-9)11(13-14)10-6-16-7-12-10/h2-7,14H,1H3/b13-11-
InChIKeyCNDHJBUZOBNGND-QBFSEMIESA-N
XLogP1.91
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.91
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-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid
CID 137246226
(NE)-N-[(6-methoxynaphthalen-2-yl)-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 142403341
(NE)-N-[(4-heptoxyphenyl)-(3-methoxyphenyl)methylidene]hydroxylamine
CID 6240249
N-[1-(3-methoxyphenyl)propylidene]hydroxylamine
CID 159100892
dimethyl (4S,5S)-3-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]-4,5-dihydro-1,2-oxazole-4,5-dicarboxylate
CID 155935950
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
1-(3-methoxyphenyl)ethylideneazanium
CID 135086476
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
(3-methoxyphenyl)-trimethylsilane
CID 2760824
4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 155878961
1-(1-iodoethenyl)-3-methoxybenzene
CID 102579416
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-methoxyphenyl)-(1,3-oxazol-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3-methoxyphenyl)-(1,3-oxazol-4-yl)methylidene]hydroxylamine (CID 121412947) is (NZ)-N-[(3-methoxyphenyl)-(1,3-oxazol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3-methoxyphenyl)-(1,3-oxazol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3-methoxyphenyl)-(1,3-oxazol-4-yl)methylidene]hydroxylamine is COc1cccc(/C(=N/O)c2cocn2)c1.
What is the InChIKey of (NZ)-N-[(3-methoxyphenyl)-(1,3-oxazol-4-yl)methylidene]hydroxylamine?
The InChIKey is CNDHJBUZOBNGND-QBFSEMIESA-N. The full InChI is InChI=1S/C11H10N2O3/c1-15-9-4-2-3-8(5-9)11(13-14)10-6-16-7-12-10/h2-7,14H,1H3/b13-11-.
What are the key properties of (NZ)-N-[(3-methoxyphenyl)-(1,3-oxazol-4-yl)methylidene]hydroxylamine?
(NZ)-N-[(3-methoxyphenyl)-(1,3-oxazol-4-yl)methylidene]hydroxylamine has a molecular weight of 218.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-methoxyphenyl)-(1,3-oxazol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 121412947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).