2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid

C10H12N6O4 — CID 106402817

IUPAC2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
SMILESCc1nc(CNC(=O)Nc2cnn(CC(=O)O)c2)no1
InChIInChI=1S/C10H12N6O4/c1-6-13-8(15-20-6)3-11-10(19)14-7-2-12-16(4-7)5-9(17)18/h2,4H,3,5H2,1H3,(H,17,18)(H2,11,14,19)
InChIKeyWFODXWVYOLJIKG-UHFFFAOYSA-N
MW280.24 g/mol
LogP-0.02
Rot. Bonds5

About 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid

2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid (PubChem CID 106402817) has the molecular formula C10H12N6O4 and a molecular weight of 280.24 g/mol. Its IUPAC name is 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
PubChem CID106402817
Molecular FormulaC10H12N6O4
Molecular Weight280.24 g/mol
Exact Mass280.09
IUPAC Name2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
SMILESCc1nc(CNC(=O)Nc2cnn(CC(=O)O)c2)no1
InChIInChI=1S/C10H12N6O4/c1-6-13-8(15-20-6)3-11-10(19)14-7-2-12-16(4-7)5-9(17)18/h2,4H,3,5H2,1H3,(H,17,18)(H2,11,14,19)
InChIKeyWFODXWVYOLJIKG-UHFFFAOYSA-N
XLogP-0.02
TPSA135.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
CID 62522870
2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402619
2-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402861
2-[4-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 102907100
2-[4-(octylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115569282
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
1-(4-indazol-1-ylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75454932
2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 107586035
1-(4-ethylsulfanylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 72887861
1-(3-aminophenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 106401387
2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
CID 79082782
4-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402704

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid (CID 106402817) is 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid is Cc1nc(CNC(=O)Nc2cnn(CC(=O)O)c2)no1.
What is the InChIKey of 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is WFODXWVYOLJIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O4/c1-6-13-8(15-20-6)3-11-10(19)14-7-2-12-16(4-7)5-9(17)18/h2,4H,3,5H2,1H3,(H,17,18)(H2,11,14,19).
What are the key properties of 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid?
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 280.24 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 106402817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).