4-[[4-(triazol-1-yl)benzoyl]amino]oxane-4-carboxamide

C15H17N5O3 — CID 126798869

IUPAC4-[[4-(triazol-1-yl)benzoyl]amino]oxane-4-carboxamide
SMILESNC(=O)C1(NC(=O)c2ccc(-n3ccnn3)cc2)CCOCC1
InChIInChI=1S/C15H17N5O3/c16-14(22)15(5-9-23-10-6-15)18-13(21)11-1-3-12(4-2-11)20-8-7-17-19-20/h1-4,7-8H,5-6,9-10H2,(H2,16,22)(H,18,21)
InChIKeyMHHFIYCTXRHZSA-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.03
Rot. Bonds4

About 4-[[4-(triazol-1-yl)benzoyl]amino]oxane-4-carboxamide

4-[[4-(triazol-1-yl)benzoyl]amino]oxane-4-carboxamide (PubChem CID 126798869) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-[[4-(triazol-1-yl)benzoyl]amino]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[4-(triazol-1-yl)benzoyl]amino]oxane-4-carboxamide
PubChem CID126798869
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name4-[[4-(triazol-1-yl)benzoyl]amino]oxane-4-carboxamide
SMILESNC(=O)C1(NC(=O)c2ccc(-n3ccnn3)cc2)CCOCC1
InChIInChI=1S/C15H17N5O3/c16-14(22)15(5-9-23-10-6-15)18-13(21)11-1-3-12(4-2-11)20-8-7-17-19-20/h1-4,7-8H,5-6,9-10H2,(H2,16,22)(H,18,21)
InChIKeyMHHFIYCTXRHZSA-UHFFFAOYSA-N
XLogP0.03
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(triazol-1-yl)benzoyl]amino]oxane-4-carboxamide?
The IUPAC name of 4-[[4-(triazol-1-yl)benzoyl]amino]oxane-4-carboxamide (CID 126798869) is 4-[[4-(triazol-1-yl)benzoyl]amino]oxane-4-carboxamide.
What is the SMILES notation for 4-[[4-(triazol-1-yl)benzoyl]amino]oxane-4-carboxamide?
The canonical SMILES for 4-[[4-(triazol-1-yl)benzoyl]amino]oxane-4-carboxamide is NC(=O)C1(NC(=O)c2ccc(-n3ccnn3)cc2)CCOCC1.
What is the InChIKey of 4-[[4-(triazol-1-yl)benzoyl]amino]oxane-4-carboxamide?
The InChIKey is MHHFIYCTXRHZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c16-14(22)15(5-9-23-10-6-15)18-13(21)11-1-3-12(4-2-11)20-8-7-17-19-20/h1-4,7-8H,5-6,9-10H2,(H2,16,22)(H,18,21).
What are the key properties of 4-[[4-(triazol-1-yl)benzoyl]amino]oxane-4-carboxamide?
4-[[4-(triazol-1-yl)benzoyl]amino]oxane-4-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(triazol-1-yl)benzoyl]amino]oxane-4-carboxamide is sourced from PubChem (CID 126798869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).