3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide

C13H15N5O2 — CID 64893121

IUPAC3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2ccccc2-n2ccnn2)CCOC1
InChIInChI=1S/C13H15N5O2/c14-13(5-8-20-9-13)12(19)16-10-3-1-2-4-11(10)18-7-6-15-17-18/h1-4,6-7H,5,8-9,14H2,(H,16,19)
InChIKeyWILSJQACXZWXLT-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.32
Rot. Bonds3

About 3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide

3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide (PubChem CID 64893121) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide
PubChem CID64893121
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2ccccc2-n2ccnn2)CCOC1
InChIInChI=1S/C13H15N5O2/c14-13(5-8-20-9-13)12(19)16-10-3-1-2-4-11(10)18-7-6-15-17-18/h1-4,6-7H,5,8-9,14H2,(H,16,19)
InChIKeyWILSJQACXZWXLT-UHFFFAOYSA-N
XLogP0.32
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2-piperidin-1-ylphenyl)oxolane-3-carboxamide
CID 64894020
3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 64892317
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide
CID 64893352
3-amino-N-(2-sulfamoylphenyl)oxolane-3-carboxamide
CID 64893383
3-amino-N-(2-methoxy-3-pyridinyl)oxolane-3-carboxamide
CID 64891921
3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide
CID 64894160
3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 63139493
1-amino-N-(2-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
CID 65466155
(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide
CID 54991404
N-[2-(triazol-1-yl)phenyl]pyridazine-4-carboxamide
CID 75448348
3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide
CID 81499886
3-amino-N-isoquinolin-5-yloxolane-3-carboxamide
CID 64892312

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide (CID 64893121) is 3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide is NC1(C(=O)Nc2ccccc2-n2ccnn2)CCOC1.
What is the InChIKey of 3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide?
The InChIKey is WILSJQACXZWXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-13(5-8-20-9-13)12(19)16-10-3-1-2-4-11(10)18-7-6-15-17-18/h1-4,6-7H,5,8-9,14H2,(H,16,19).
What are the key properties of 3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide?
3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 64893121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).