2-oxo-3H-1,3-benzoxazole-5-carbohydrazide

C8H7N3O3 — CID 116843327

IUPAC2-oxo-3H-1,3-benzoxazole-5-carbohydrazide
SMILESNNC(=O)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C8H7N3O3/c9-11-7(12)4-1-2-6-5(3-4)10-8(13)14-6/h1-3H,9H2,(H,10,13)(H,11,12)
InChIKeyVOSFBKNXWKSIGS-UHFFFAOYSA-N
MW193.16 g/mol
LogP-0.28
Rot. Bonds1

About 2-oxo-3H-1,3-benzoxazole-5-carbohydrazide

2-oxo-3H-1,3-benzoxazole-5-carbohydrazide (PubChem CID 116843327) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 2-oxo-3H-1,3-benzoxazole-5-carbohydrazide.

Molecular Properties

Compound Name2-oxo-3H-1,3-benzoxazole-5-carbohydrazide
PubChem CID116843327
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name2-oxo-3H-1,3-benzoxazole-5-carbohydrazide
SMILESNNC(=O)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C8H7N3O3/c9-11-7(12)4-1-2-6-5(3-4)10-8(13)14-6/h1-3H,9H2,(H,10,13)(H,11,12)
InChIKeyVOSFBKNXWKSIGS-UHFFFAOYSA-N
XLogP-0.28
TPSA101.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 46862145
N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 110678693
2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide
CID 110766627
5-(3-amino-3-methylbutanoyl)-3H-1,3-benzoxazol-2-one
CID 116915773
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
1-[(2-oxo-3H-1,3-benzoxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 67180461
5-(hydrazinylmethyl)-3H-1,3-benzoxazol-2-one
CID 116932358
3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786732
5-(2-bromo-2-chloroacetyl)-3H-1,3-benzoxazol-2-one
CID 116863919
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786718
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
5-(azetidine-3-carbonyl)-3H-1,3-benzoxazol-2-one
CID 90053957

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3H-1,3-benzoxazole-5-carbohydrazide?
The IUPAC name of 2-oxo-3H-1,3-benzoxazole-5-carbohydrazide (CID 116843327) is 2-oxo-3H-1,3-benzoxazole-5-carbohydrazide.
What is the SMILES notation for 2-oxo-3H-1,3-benzoxazole-5-carbohydrazide?
The canonical SMILES for 2-oxo-3H-1,3-benzoxazole-5-carbohydrazide is NNC(=O)c1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 2-oxo-3H-1,3-benzoxazole-5-carbohydrazide?
The InChIKey is VOSFBKNXWKSIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c9-11-7(12)4-1-2-6-5(3-4)10-8(13)14-6/h1-3H,9H2,(H,10,13)(H,11,12).
What are the key properties of 2-oxo-3H-1,3-benzoxazole-5-carbohydrazide?
2-oxo-3H-1,3-benzoxazole-5-carbohydrazide has a molecular weight of 193.16 g/mol, XLogP of -0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3H-1,3-benzoxazole-5-carbohydrazide is sourced from PubChem (CID 116843327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).