4-(1H-pyrazol-5-ylamino)-1,3-oxazole-2-carboxylic acid

C7H6N4O3 — CID 172765578

IUPAC4-(1H-pyrazol-5-ylamino)-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1nc(Nc2ccn[nH]2)co1
InChIInChI=1S/C7H6N4O3/c12-7(13)6-10-5(3-14-6)9-4-1-2-8-11-4/h1-3H,(H,12,13)(H2,8,9,11)
InChIKeyMGMWULBXKIXZBM-UHFFFAOYSA-N
MW194.15 g/mol
LogP0.84
Rot. Bonds3

About 4-(1H-pyrazol-5-ylamino)-1,3-oxazole-2-carboxylic acid

4-(1H-pyrazol-5-ylamino)-1,3-oxazole-2-carboxylic acid (PubChem CID 172765578) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-ylamino)-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(1H-pyrazol-5-ylamino)-1,3-oxazole-2-carboxylic acid
PubChem CID172765578
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name4-(1H-pyrazol-5-ylamino)-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1nc(Nc2ccn[nH]2)co1
InChIInChI=1S/C7H6N4O3/c12-7(13)6-10-5(3-14-6)9-4-1-2-8-11-4/h1-3H,(H,12,13)(H2,8,9,11)
InChIKeyMGMWULBXKIXZBM-UHFFFAOYSA-N
XLogP0.84
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-5-ylamino)-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-(1H-pyrazol-5-ylamino)-1,3-oxazole-2-carboxylic acid (CID 172765578) is 4-(1H-pyrazol-5-ylamino)-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-(1H-pyrazol-5-ylamino)-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-(1H-pyrazol-5-ylamino)-1,3-oxazole-2-carboxylic acid is O=C(O)c1nc(Nc2ccn[nH]2)co1.
What is the InChIKey of 4-(1H-pyrazol-5-ylamino)-1,3-oxazole-2-carboxylic acid?
The InChIKey is MGMWULBXKIXZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c12-7(13)6-10-5(3-14-6)9-4-1-2-8-11-4/h1-3H,(H,12,13)(H2,8,9,11).
What are the key properties of 4-(1H-pyrazol-5-ylamino)-1,3-oxazole-2-carboxylic acid?
4-(1H-pyrazol-5-ylamino)-1,3-oxazole-2-carboxylic acid has a molecular weight of 194.15 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-5-ylamino)-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 172765578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).