N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide

C16H20N4O2 — CID 131932133

IUPACN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide
SMILESCc1nc(-c2cccc(NC(=O)CC3CCCOC3)c2)n[nH]1
InChIInChI=1S/C16H20N4O2/c1-11-17-16(20-19-11)13-5-2-6-14(9-13)18-15(21)8-12-4-3-7-22-10-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyCHADCILXKIHPSU-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.54
Rot. Bonds4

About N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide (PubChem CID 131932133) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide
PubChem CID131932133
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide
SMILESCc1nc(-c2cccc(NC(=O)CC3CCCOC3)c2)n[nH]1
InChIInChI=1S/C16H20N4O2/c1-11-17-16(20-19-11)13-5-2-6-14(9-13)18-15(21)8-12-4-3-7-22-10-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyCHADCILXKIHPSU-UHFFFAOYSA-N
XLogP2.54
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928278
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide
CID 110862725
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60928392
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95571029
2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 168520871
2-(3-ethylazetidin-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 166253099
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide
CID 60552910
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(oxan-4-ylmethyl)aniline
CID 62386703
2-(2-chlorophenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 131949596

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide?
The IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide (CID 131932133) is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide.
What is the SMILES notation for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide?
The canonical SMILES for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide is Cc1nc(-c2cccc(NC(=O)CC3CCCOC3)c2)n[nH]1.
What is the InChIKey of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide?
The InChIKey is CHADCILXKIHPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-17-16(20-19-11)13-5-2-6-14(9-13)18-15(21)8-12-4-3-7-22-10-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide?
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide is sourced from PubChem (CID 131932133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).