2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide

C14H11N3O3 — CID 129309352

IUPAC2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide
SMILESO=C(NO)c1ccc2oc(Nc3ccccc3)nc2c1
InChIInChI=1S/C14H11N3O3/c18-13(17-19)9-6-7-12-11(8-9)16-14(20-12)15-10-4-2-1-3-5-10/h1-8,19H,(H,15,16)(H,17,18)
InChIKeyWJXINWQHSJTFFR-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.69
Rot. Bonds3

About 2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide

2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide (PubChem CID 129309352) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide
PubChem CID129309352
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide
SMILESO=C(NO)c1ccc2oc(Nc3ccccc3)nc2c1
InChIInChI=1S/C14H11N3O3/c18-13(17-19)9-6-7-12-11(8-9)16-14(20-12)15-10-4-2-1-3-5-10/h1-8,19H,(H,15,16)(H,17,18)
InChIKeyWJXINWQHSJTFFR-UHFFFAOYSA-N
XLogP2.69
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide
CID 142744266
3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide
CID 134459971
2-(methylamino)-1,3-benzoxazole-5-carboxylic acid
CID 83829974
2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide
CID 129283536
2-anilino-1,3-benzoxazol-6-ol;ethane
CID 91286009
6-methyl-N-phenyl-1,3-benzoxazol-2-amine
CID 59991820
N-hydroxy-2-[[6-[4-[[5-(hydroxycarbamoyl)-1,3-benzoxazol-2-yl]amino]-3-methoxyphenyl]naphthalen-1-yl]methylamino]-1,3-benzoxazole-5-carboxamide
CID 129309510
N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
CID 108795166
N-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide
CID 70957878
N-(2-anilino-1,3-benzoxazol-5-yl)-5-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]pentanamide
CID 71554835
2-(3-ethynylanilino)-1,3-benzoxazole-6-carboxylic acid
CID 116690362
2-[4-(3-fluoro-4-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide
CID 137199880

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide (CID 129309352) is 2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide is O=C(NO)c1ccc2oc(Nc3ccccc3)nc2c1.
What is the InChIKey of 2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide?
The InChIKey is WJXINWQHSJTFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-13(17-19)9-6-7-12-11(8-9)16-14(20-12)15-10-4-2-1-3-5-10/h1-8,19H,(H,15,16)(H,17,18).
What are the key properties of 2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide?
2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 129309352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).