2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide

C14H16N4O3 — CID 136567255

IUPAC2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide
SMILESCn1cnn(CC(=O)NC2(c3ccccc3)COC2)c1=O
InChIInChI=1S/C14H16N4O3/c1-17-10-15-18(13(17)20)7-12(19)16-14(8-21-9-14)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,19)
InChIKeyBYPLGQNAWSMPFX-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.38
Rot. Bonds4

About 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide

2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide (PubChem CID 136567255) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide
PubChem CID136567255
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide
SMILESCn1cnn(CC(=O)NC2(c3ccccc3)COC2)c1=O
InChIInChI=1S/C14H16N4O3/c1-17-10-15-18(13(17)20)7-12(19)16-14(8-21-9-14)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,19)
InChIKeyBYPLGQNAWSMPFX-UHFFFAOYSA-N
XLogP-0.38
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774389
N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115885261
N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 138017395
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-spiro[2.5]octan-2-ylacetamide
CID 127772971
2-(2-oxopyrrolidin-3-yl)-N-(3-phenyloxetan-3-yl)acetamide
CID 136567222
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 97245769
N-(2-cyanoethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 116626783
2-[2-(3-ethyl-3-methylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
CID 146088030
4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-one
CID 115774445
4-fluoro-N-(3-phenyloxetan-3-yl)benzamide
CID 139015652
N-cyclopropyl-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774420
1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide
CID 138021749

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide?
The IUPAC name of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide (CID 136567255) is 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide?
The canonical SMILES for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide is Cn1cnn(CC(=O)NC2(c3ccccc3)COC2)c1=O.
What is the InChIKey of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide?
The InChIKey is BYPLGQNAWSMPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-17-10-15-18(13(17)20)7-12(19)16-14(8-21-9-14)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,19).
What are the key properties of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide?
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide has a molecular weight of 288.31 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide is sourced from PubChem (CID 136567255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).