2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid

C6H9N3O3 — CID 83803507

IUPAC2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid
SMILESCc1noc(NN)c1CC(=O)O
InChIInChI=1S/C6H9N3O3/c1-3-4(2-5(10)11)6(8-7)12-9-3/h8H,2,7H2,1H3,(H,10,11)
InChIKeySOMZLCKPUYBSSA-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.10
Rot. Bonds3

About 2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid

2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid (PubChem CID 83803507) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid
PubChem CID83803507
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid
SMILESCc1noc(NN)c1CC(=O)O
InChIInChI=1S/C6H9N3O3/c1-3-4(2-5(10)11)6(8-7)12-9-3/h8H,2,7H2,1H3,(H,10,11)
InChIKeySOMZLCKPUYBSSA-UHFFFAOYSA-N
XLogP-0.10
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)acetic acid
CID 83530225
2-(5-cyclopentyl-3-methyl-1,2-oxazol-4-yl)acetic acid
CID 105462752
2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid
CID 45071760
2-(4-chloro-3-methyl-1,2-oxazol-5-yl)acetic acid
CID 21451296
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid
CID 16770026
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]acetic acid
CID 84758799
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
methyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate
CID 119027003
2-[5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-yl]acetic acid
CID 82302087
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetic acid
CID 2106598
3-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-2-one
CID 82407822
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea
CID 83111738

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid?
The IUPAC name of 2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid (CID 83803507) is 2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid is Cc1noc(NN)c1CC(=O)O.
What is the InChIKey of 2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid?
The InChIKey is SOMZLCKPUYBSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-3-4(2-5(10)11)6(8-7)12-9-3/h8H,2,7H2,1H3,(H,10,11).
What are the key properties of 2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid?
2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid has a molecular weight of 171.16 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydrazinyl-3-methyl-1,2-oxazol-4-yl)acetic acid is sourced from PubChem (CID 83803507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).