1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide

C17H19N5O2 — CID 126770892

IUPAC1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NCc2cc(-c3ccccc3)on2)nn1
InChIInChI=1S/C17H19N5O2/c1-17(2,3)22-11-14(19-21-22)16(23)18-10-13-9-15(24-20-13)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,18,23)
InChIKeyHNDRPRAUVUDHJN-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.62
Rot. Bonds4

About 1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide

1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide (PubChem CID 126770892) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
PubChem CID126770892
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NCc2cc(-c3ccccc3)on2)nn1
InChIInChI=1S/C17H19N5O2/c1-17(2,3)22-11-14(19-21-22)16(23)18-10-13-9-15(24-20-13)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,18,23)
InChIKeyHNDRPRAUVUDHJN-UHFFFAOYSA-N
XLogP2.62
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide (CID 126770892) is 1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide is CC(C)(C)n1cc(C(=O)NCc2cc(-c3ccccc3)on2)nn1.
What is the InChIKey of 1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide?
The InChIKey is HNDRPRAUVUDHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-17(2,3)22-11-14(19-21-22)16(23)18-10-13-9-15(24-20-13)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,18,23).
What are the key properties of 1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide?
1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 126770892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).