2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide

C10H13N5O3 — CID 67958764

IUPAC2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide
SMILESCC(C)(O)c1coc(Cn2ncc(C(N)=O)n2)n1
InChIInChI=1S/C10H13N5O3/c1-10(2,17)7-5-18-8(13-7)4-15-12-3-6(14-15)9(11)16/h3,5,17H,4H2,1-2H3,(H2,11,16)
InChIKeyAKTWLRIKHHAPBJ-UHFFFAOYSA-N
MW251.25 g/mol
LogP-0.36
Rot. Bonds4

About 2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide

2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide (PubChem CID 67958764) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide
PubChem CID67958764
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide
SMILESCC(C)(O)c1coc(Cn2ncc(C(N)=O)n2)n1
InChIInChI=1S/C10H13N5O3/c1-10(2,17)7-5-18-8(13-7)4-15-12-3-6(14-15)9(11)16/h3,5,17H,4H2,1-2H3,(H2,11,16)
InChIKeyAKTWLRIKHHAPBJ-UHFFFAOYSA-N
XLogP-0.36
TPSA120.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide (CID 67958764) is 2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide is CC(C)(O)c1coc(Cn2ncc(C(N)=O)n2)n1.
What is the InChIKey of 2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is AKTWLRIKHHAPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-10(2,17)7-5-18-8(13-7)4-15-12-3-6(14-15)9(11)16/h3,5,17H,4H2,1-2H3,(H2,11,16).
What are the key properties of 2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide?
2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 251.25 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 67958764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).