2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid

C9H9N5O4 — CID 66289567

IUPAC2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid
SMILESCc1cc(NC(=O)c2cn(CC(=O)O)nn2)on1
InChIInChI=1S/C9H9N5O4/c1-5-2-7(18-12-5)10-9(17)6-3-14(13-11-6)4-8(15)16/h2-3H,4H2,1H3,(H,10,17)(H,15,16)
InChIKeyZOZSZOGMTXLKJF-UHFFFAOYSA-N
MW251.20 g/mol
LogP-0.09
Rot. Bonds4

About 2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid

2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid (PubChem CID 66289567) has the molecular formula C9H9N5O4 and a molecular weight of 251.20 g/mol. Its IUPAC name is 2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid
PubChem CID66289567
Molecular FormulaC9H9N5O4
Molecular Weight251.20 g/mol
Exact Mass251.07
IUPAC Name2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid
SMILESCc1cc(NC(=O)c2cn(CC(=O)O)nn2)on1
InChIInChI=1S/C9H9N5O4/c1-5-2-7(18-12-5)10-9(17)6-3-14(13-11-6)4-8(15)16/h2-3H,4H2,1H3,(H,10,17)(H,15,16)
InChIKeyZOZSZOGMTXLKJF-UHFFFAOYSA-N
XLogP-0.09
TPSA123.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid
CID 66289591
2-[4-[(5-chloro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66289358
2-[4-[(4-propan-2-ylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288941
2-[4-[(4-bromo-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66291024
2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66287910
2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288769
2-[4-[(2,4,5-trifluorophenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288564
2-[4-(1,3-thiazol-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66290806
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 116642275
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid
CID 66289802
2-[4-[2-(4-chloro-3-methylphenyl)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 167961993
2-[4-(5-methylhexan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66288776

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid (CID 66289567) is 2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid is Cc1cc(NC(=O)c2cn(CC(=O)O)nn2)on1.
What is the InChIKey of 2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid?
The InChIKey is ZOZSZOGMTXLKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O4/c1-5-2-7(18-12-5)10-9(17)6-3-14(13-11-6)4-8(15)16/h2-3H,4H2,1H3,(H,10,17)(H,15,16).
What are the key properties of 2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid?
2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid has a molecular weight of 251.20 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 66289567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).