[3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid

C6H9N2O5P — CID 71724313

IUPAC[3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid
SMILESO=C(CCP(=O)(O)O)Nc1ccon1
InChIInChI=1S/C6H9N2O5P/c9-6(2-4-14(10,11)12)7-5-1-3-13-8-5/h1,3H,2,4H2,(H,7,8,9)(H2,10,11,12)
InChIKeyCCVQCUNRGAWFJF-UHFFFAOYSA-N
MW220.12 g/mol
LogP0.18
Rot. Bonds4

About [3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid

[3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid (PubChem CID 71724313) has the molecular formula C6H9N2O5P and a molecular weight of 220.12 g/mol. Its IUPAC name is [3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid.

Molecular Properties

Compound Name[3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid
PubChem CID71724313
Molecular FormulaC6H9N2O5P
Molecular Weight220.12 g/mol
Exact Mass220.02
IUPAC Name[3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid
SMILESO=C(CCP(=O)(O)O)Nc1ccon1
InChIInChI=1S/C6H9N2O5P/c9-6(2-4-14(10,11)12)7-5-1-3-13-8-5/h1,3H,2,4H2,(H,7,8,9)(H2,10,11,12)
InChIKeyCCVQCUNRGAWFJF-UHFFFAOYSA-N
XLogP0.18
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.12
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533
4-amino-N-(1,2-oxazol-3-yl)butanamide
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N-(1,2-oxazol-3-yl)-3-oxobutanamide
CID 62902230
2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide
CID 53316479
2-iodo-N-(1,2-oxazol-3-ylcarbamoyl)acetamide
CID 14050947
2-(2-methoxyethoxy)-N-(1,2-oxazol-3-yl)acetamide
CID 103895196
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide
CID 71689014
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide
CID 16594187
2,2-difluoro-N-(1,2-oxazol-3-yl)acetamide
CID 103515463
3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide
CID 104502578
2-(hydroxymethyl)-N-(1,2-oxazol-3-yl)benzamide
CID 163613647
2-(butan-2-ylamino)-N-(1,2-oxazol-3-yl)acetamide
CID 42656286

Frequently Asked Questions

What is the IUPAC name of [3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid?
The IUPAC name of [3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid (CID 71724313) is [3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid.
What is the SMILES notation for [3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid?
The canonical SMILES for [3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid is O=C(CCP(=O)(O)O)Nc1ccon1.
What is the InChIKey of [3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid?
The InChIKey is CCVQCUNRGAWFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2O5P/c9-6(2-4-14(10,11)12)7-5-1-3-13-8-5/h1,3H,2,4H2,(H,7,8,9)(H2,10,11,12).
What are the key properties of [3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid?
[3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid has a molecular weight of 220.12 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid is sourced from PubChem (CID 71724313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).