(2S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxolane-2-carboxamide

C12H14N2O3 — CID 136907729

IUPAC(2S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxolane-2-carboxamide
SMILESO=C(N/N=C\c1ccc(O)cc1)[C@@H]1CCCO1
InChIInChI=1S/C12H14N2O3/c15-10-5-3-9(4-6-10)8-13-14-12(16)11-2-1-7-17-11/h3-6,8,11,15H,1-2,7H2,(H,14,16)/b13-8-/t11-/m0/s1
InChIKeyYJJLMBUKLXDVHG-LFTLCWSBSA-N
MW234.25 g/mol
LogP1.02
Rot. Bonds3

About (2S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxolane-2-carboxamide

(2S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxolane-2-carboxamide (PubChem CID 136907729) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxolane-2-carboxamide
PubChem CID136907729
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(2S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxolane-2-carboxamide
SMILESO=C(N/N=C\c1ccc(O)cc1)[C@@H]1CCCO1
InChIInChI=1S/C12H14N2O3/c15-10-5-3-9(4-6-10)8-13-14-12(16)11-2-1-7-17-11/h3-6,8,11,15H,1-2,7H2,(H,14,16)/b13-8-/t11-/m0/s1
InChIKeyYJJLMBUKLXDVHG-LFTLCWSBSA-N
XLogP1.02
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 740443
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 3806839
(3R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1,1-dioxothiolane-3-carboxamide
CID 135817764
(1S,6S,7S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 136664067
(1S,6S,7R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 137027687
N-(benzhydrylideneamino)oxolane-2-carboxamide
CID 134059313
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
(4-hydroxyphenyl)-(oxan-2-yl)methanone
CID 67839565
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 135627948
(2R,3S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136757616

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxolane-2-carboxamide (CID 136907729) is (2S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxolane-2-carboxamide is O=C(N/N=C\c1ccc(O)cc1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxolane-2-carboxamide?
The InChIKey is YJJLMBUKLXDVHG-LFTLCWSBSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-10-5-3-9(4-6-10)8-13-14-12(16)11-2-1-7-17-11/h3-6,8,11,15H,1-2,7H2,(H,14,16)/b13-8-/t11-/m0/s1.
What are the key properties of (2S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxolane-2-carboxamide?
(2S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxolane-2-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxolane-2-carboxamide is sourced from PubChem (CID 136907729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).