2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid

C10H13N5O3 — CID 167888031

IUPAC2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid
SMILESCC(CNc1nc(C(=O)O)co1)c1nncn1C
InChIInChI=1S/C10H13N5O3/c1-6(8-14-12-5-15(8)2)3-11-10-13-7(4-18-10)9(16)17/h4-6H,3H2,1-2H3,(H,11,13)(H,16,17)
InChIKeyMEPXEGQASQEGCF-UHFFFAOYSA-N
MW251.25 g/mol
LogP0.72
Rot. Bonds5

About 2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid

2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid (PubChem CID 167888031) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid
PubChem CID167888031
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid
SMILESCC(CNc1nc(C(=O)O)co1)c1nncn1C
InChIInChI=1S/C10H13N5O3/c1-6(8-14-12-5-15(8)2)3-11-10-13-7(4-18-10)9(16)17/h4-6H,3H2,1-2H3,(H,11,13)(H,16,17)
InChIKeyMEPXEGQASQEGCF-UHFFFAOYSA-N
XLogP0.72
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(7-methyloctylamino)-1,3-oxazole-4-carboxylic acid
CID 107815533
2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid
CID 114256011
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid
CID 106435570
1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]triazole-4-carboxylic acid
CID 103248670
5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103248690
5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]furan-3-carboxylic acid
CID 113432461
2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]furan-3-carboxylic acid
CID 103248668
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid
CID 114982862
6-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 54867805
5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 54867804
2-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 62119598
2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide
CID 119037284

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid (CID 167888031) is 2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid is CC(CNc1nc(C(=O)O)co1)c1nncn1C.
What is the InChIKey of 2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is MEPXEGQASQEGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-6(8-14-12-5-15(8)2)3-11-10-13-7(4-18-10)9(16)17/h4-6H,3H2,1-2H3,(H,11,13)(H,16,17).
What are the key properties of 2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid?
2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 251.25 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 167888031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).