amino-[2-(1,2-oxazol-3-yl)phenyl]carbamic acid

C10H9N3O3 — CID 174582249

IUPACamino-[2-(1,2-oxazol-3-yl)phenyl]carbamic acid
SMILESNN(C(=O)O)c1ccccc1-c1ccon1
InChIInChI=1S/C10H9N3O3/c11-13(10(14)15)9-4-2-1-3-7(9)8-5-6-16-12-8/h1-6H,11H2,(H,14,15)
InChIKeySGZBEEIMGHKBPD-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.70
Rot. Bonds2

About amino-[2-(1,2-oxazol-3-yl)phenyl]carbamic acid

amino-[2-(1,2-oxazol-3-yl)phenyl]carbamic acid (PubChem CID 174582249) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is amino-[2-(1,2-oxazol-3-yl)phenyl]carbamic acid.

Molecular Properties

Compound Nameamino-[2-(1,2-oxazol-3-yl)phenyl]carbamic acid
PubChem CID174582249
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Nameamino-[2-(1,2-oxazol-3-yl)phenyl]carbamic acid
SMILESNN(C(=O)O)c1ccccc1-c1ccon1
InChIInChI=1S/C10H9N3O3/c11-13(10(14)15)9-4-2-1-3-7(9)8-5-6-16-12-8/h1-6H,11H2,(H,14,15)
InChIKeySGZBEEIMGHKBPD-UHFFFAOYSA-N
XLogP1.70
TPSA92.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.70
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

amino-(2-aminophenyl)carbamic acid
CID 143072822
carbamic acid;3-phenyl-1,2-oxazole
CID 175520433
3-(2-iodophenyl)-1,2-oxazole
CID 141216414
[4-chloro-3-(1,2-oxazol-3-yl)phenyl]-phenylmethanone
CID 175076754
N-(2-phenylphenyl)acetohydrazide
CID 175208491
3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine
CID 154238889
3-[2-amino-N-(1,2-oxazole-3-carbonyl)anilino]propanoic acid
CID 63118482
[2-methyl-3-(1,2-oxazol-3-yl)phenyl]methanol
CID 15172139
3-(2,6-dichlorophenyl)-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 174938953
[4-(1,2-oxazol-3-yl)phenyl]carbamic acid
CID 91035756
4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde
CID 140507772
N-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 91235694

Frequently Asked Questions

What is the IUPAC name of amino-[2-(1,2-oxazol-3-yl)phenyl]carbamic acid?
The IUPAC name of amino-[2-(1,2-oxazol-3-yl)phenyl]carbamic acid (CID 174582249) is amino-[2-(1,2-oxazol-3-yl)phenyl]carbamic acid.
What is the SMILES notation for amino-[2-(1,2-oxazol-3-yl)phenyl]carbamic acid?
The canonical SMILES for amino-[2-(1,2-oxazol-3-yl)phenyl]carbamic acid is NN(C(=O)O)c1ccccc1-c1ccon1.
What is the InChIKey of amino-[2-(1,2-oxazol-3-yl)phenyl]carbamic acid?
The InChIKey is SGZBEEIMGHKBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-13(10(14)15)9-4-2-1-3-7(9)8-5-6-16-12-8/h1-6H,11H2,(H,14,15).
What are the key properties of amino-[2-(1,2-oxazol-3-yl)phenyl]carbamic acid?
amino-[2-(1,2-oxazol-3-yl)phenyl]carbamic acid has a molecular weight of 219.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[2-(1,2-oxazol-3-yl)phenyl]carbamic acid is sourced from PubChem (CID 174582249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).