2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide

C15H19N5O2 — CID 120790998

IUPAC2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide
SMILESNC(C(=O)Nc1ccc(-n2ccnn2)cc1)C1CCOCC1
InChIInChI=1S/C15H19N5O2/c16-14(11-5-9-22-10-6-11)15(21)18-12-1-3-13(4-2-12)20-8-7-17-19-20/h1-4,7-8,11,14H,5-6,9-10,16H2,(H,18,21)
InChIKeySTKGJKMLHDUBSE-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.96
Rot. Bonds4

About 2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide

2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide (PubChem CID 120790998) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide
PubChem CID120790998
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide
SMILESNC(C(=O)Nc1ccc(-n2ccnn2)cc1)C1CCOCC1
InChIInChI=1S/C15H19N5O2/c16-14(11-5-9-22-10-6-11)15(21)18-12-1-3-13(4-2-12)20-8-7-17-19-20/h1-4,7-8,11,14H,5-6,9-10,16H2,(H,18,21)
InChIKeySTKGJKMLHDUBSE-UHFFFAOYSA-N
XLogP0.96
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 120790126
2-amino-2-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 120784046
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120785655
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 120785588
2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride
CID 120789553
2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120800496
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide
CID 120794064
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 120786530
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
CID 120792716
2-amino-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785169

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide (CID 120790998) is 2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide is NC(C(=O)Nc1ccc(-n2ccnn2)cc1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide?
The InChIKey is STKGJKMLHDUBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-14(11-5-9-22-10-6-11)15(21)18-12-1-3-13(4-2-12)20-8-7-17-19-20/h1-4,7-8,11,14H,5-6,9-10,16H2,(H,18,21).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide?
2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 120790998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).