N-(5-methyl-1,2-oxazol-3-yl)-2-(4H-triazol-4-yl)acetamide

C8H9N5O2 — CID 25239920

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(4H-triazol-4-yl)acetamide
SMILESCc1cc(NC(=O)CC2C=NN=N2)no1
InChIInChI=1S/C8H9N5O2/c1-5-2-7(12-15-5)10-8(14)3-6-4-9-13-11-6/h2,4,6H,3H2,1H3,(H,10,12,14)
InChIKeyOKTLIZXSTBWHSW-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.13
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-2-(4H-triazol-4-yl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(4H-triazol-4-yl)acetamide (PubChem CID 25239920) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(4H-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4H-triazol-4-yl)acetamide
PubChem CID25239920
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4H-triazol-4-yl)acetamide
SMILESCc1cc(NC(=O)CC2C=NN=N2)no1
InChIInChI=1S/C8H9N5O2/c1-5-2-7(12-15-5)10-8(14)3-6-4-9-13-11-6/h2,4,6H,3H2,1H3,(H,10,12,14)
InChIKeyOKTLIZXSTBWHSW-UHFFFAOYSA-N
XLogP1.13
TPSA92.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide
CID 110865536
4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79529652
N-(5-methyl-1,2-oxazol-3-yl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 15999852
2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 43465797
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
N-(5-methyl-1,2-oxazol-3-yl)-3-(oxan-4-ylsulfanyl)propanamide
CID 75389694
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylacetamide
CID 110697404
2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
CID 55245946
2-(cyclohexylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813408
2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 63645461
N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956261
3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110343455

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4H-triazol-4-yl)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4H-triazol-4-yl)acetamide (CID 25239920) is N-(5-methyl-1,2-oxazol-3-yl)-2-(4H-triazol-4-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(4H-triazol-4-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(4H-triazol-4-yl)acetamide is Cc1cc(NC(=O)CC2C=NN=N2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(4H-triazol-4-yl)acetamide?
The InChIKey is OKTLIZXSTBWHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-5-2-7(12-15-5)10-8(14)3-6-4-9-13-11-6/h2,4,6H,3H2,1H3,(H,10,12,14).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(4H-triazol-4-yl)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(4H-triazol-4-yl)acetamide has a molecular weight of 207.19 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(4H-triazol-4-yl)acetamide is sourced from PubChem (CID 25239920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).