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

C10H11N5O3 — CID 67958898

IUPAC2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide
SMILESNC(=O)c1cnn(Cc2nc(C3(O)CC3)co2)n1
InChIInChI=1S/C10H11N5O3/c11-9(16)6-3-12-15(14-6)4-8-13-7(5-18-8)10(17)1-2-10/h3,5,17H,1-2,4H2,(H2,11,16)
InChIKeyNJQXEQCGCRBWLB-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.61
Rot. Bonds4

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

2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide (PubChem CID 67958898) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide
PubChem CID67958898
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide
SMILESNC(=O)c1cnn(Cc2nc(C3(O)CC3)co2)n1
InChIInChI=1S/C10H11N5O3/c11-9(16)6-3-12-15(14-6)4-8-13-7(5-18-8)10(17)1-2-10/h3,5,17H,1-2,4H2,(H2,11,16)
InChIKeyNJQXEQCGCRBWLB-UHFFFAOYSA-N
XLogP-0.61
TPSA120.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide (CID 67958898) is 2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide is NC(=O)c1cnn(Cc2nc(C3(O)CC3)co2)n1.
What is the InChIKey of 2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is NJQXEQCGCRBWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c11-9(16)6-3-12-15(14-6)4-8-13-7(5-18-8)10(17)1-2-10/h3,5,17H,1-2,4H2,(H2,11,16).
What are the key properties of 2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide?
2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 249.23 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-hydroxycyclopropyl)-1,3-oxazol-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 67958898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).