2-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1H-pyrazol-5-yl]acetic acid

C10H11N3O4 — CID 96594044

IUPAC2-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1H-pyrazol-5-yl]acetic acid
SMILESCOc1cc(Cc2cn[nH]c2CC(=O)O)on1
InChIInChI=1S/C10H11N3O4/c1-16-9-3-7(17-13-9)2-6-5-11-12-8(6)4-10(14)15/h3,5H,2,4H2,1H3,(H,11,12)(H,14,15)
InChIKeyKFGWUPFLUNULRV-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.62
Rot. Bonds5

About 2-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1H-pyrazol-5-yl]acetic acid

2-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1H-pyrazol-5-yl]acetic acid (PubChem CID 96594044) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1H-pyrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1H-pyrazol-5-yl]acetic acid
PubChem CID96594044
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name2-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1H-pyrazol-5-yl]acetic acid
SMILESCOc1cc(Cc2cn[nH]c2CC(=O)O)on1
InChIInChI=1S/C10H11N3O4/c1-16-9-3-7(17-13-9)2-6-5-11-12-8(6)4-10(14)15/h3,5H,2,4H2,1H3,(H,11,12)(H,14,15)
InChIKeyKFGWUPFLUNULRV-UHFFFAOYSA-N
XLogP0.62
TPSA101.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1H-pyrazol-5-yl]acetic acid?
The IUPAC name of 2-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1H-pyrazol-5-yl]acetic acid (CID 96594044) is 2-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1H-pyrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1H-pyrazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1H-pyrazol-5-yl]acetic acid is COc1cc(Cc2cn[nH]c2CC(=O)O)on1.
What is the InChIKey of 2-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1H-pyrazol-5-yl]acetic acid?
The InChIKey is KFGWUPFLUNULRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-16-9-3-7(17-13-9)2-6-5-11-12-8(6)4-10(14)15/h3,5H,2,4H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 2-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1H-pyrazol-5-yl]acetic acid?
2-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1H-pyrazol-5-yl]acetic acid has a molecular weight of 237.21 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1H-pyrazol-5-yl]acetic acid is sourced from PubChem (CID 96594044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).