1,3-oxazole-5-carbohydrazide

C4H5N3O2 — CID 53277862

IUPAC1,3-oxazole-5-carbohydrazide
SMILESNNC(=O)c1cnco1
InChIInChI=1S/C4H5N3O2/c5-7-4(8)3-1-6-2-9-3/h1-2H,5H2,(H,7,8)
InChIKeyXGOXHUIKFGEJHK-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.72
Rot. Bonds1

About 1,3-oxazole-5-carbohydrazide

1,3-oxazole-5-carbohydrazide (PubChem CID 53277862) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 1,3-oxazole-5-carbohydrazide.

Molecular Properties

Compound Name1,3-oxazole-5-carbohydrazide
PubChem CID53277862
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name1,3-oxazole-5-carbohydrazide
SMILESNNC(=O)c1cnco1
InChIInChI=1S/C4H5N3O2/c5-7-4(8)3-1-6-2-9-3/h1-2H,5H2,(H,7,8)
InChIKeyXGOXHUIKFGEJHK-UHFFFAOYSA-N
XLogP-0.72
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
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

1,3-Oxazole-5-carboxamide
CID 22318809
1,3-Oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 90040422
2-(Fluoromethyl)-1,3-oxazole-5-carboxamide
CID 139330366
N-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 154073475
N-(2-fluoroethyl)-1,3-oxazole-5-carboxamide
CID 130626728
N-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide
CID 130666663
N-methyl-1,3-oxazole-5-carboxamide
CID 23525717
2-Methyloxazole-5-carboxamide
CID 57664355
N-prop-2-enyl-1,3-oxazole-5-carboxamide
CID 68128504
N-propyl-1,3-oxazole-5-carboxamide
CID 69350918
N-Methoxy-N-methyloxazole-5-carboxamide
CID 87693094
2-Iodooxazole-5-carboxamide
CID 89699829

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole-5-carbohydrazide?
The IUPAC name of 1,3-oxazole-5-carbohydrazide (CID 53277862) is 1,3-oxazole-5-carbohydrazide.
What is the SMILES notation for 1,3-oxazole-5-carbohydrazide?
The canonical SMILES for 1,3-oxazole-5-carbohydrazide is NNC(=O)c1cnco1.
What is the InChIKey of 1,3-oxazole-5-carbohydrazide?
The InChIKey is XGOXHUIKFGEJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-7-4(8)3-1-6-2-9-3/h1-2H,5H2,(H,7,8).
What are the key properties of 1,3-oxazole-5-carbohydrazide?
1,3-oxazole-5-carbohydrazide has a molecular weight of 127.10 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole-5-carbohydrazide is sourced from PubChem (CID 53277862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).