2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide

C13H12N6O3 — CID 112525520

IUPAC2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide
SMILESCC(=O)Nc1cnn(CC(=O)Nc2ccc3ocnc3c2)n1
InChIInChI=1S/C13H12N6O3/c1-8(20)16-12-5-15-19(18-12)6-13(21)17-9-2-3-11-10(4-9)14-7-22-11/h2-5,7H,6H2,1H3,(H,17,21)(H,16,18,20)
InChIKeyXGNILAYWRDMUIJ-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.02
Rot. Bonds4

About 2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide

2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide (PubChem CID 112525520) has the molecular formula C13H12N6O3 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide
PubChem CID112525520
Molecular FormulaC13H12N6O3
Molecular Weight300.28 g/mol
Exact Mass300.10
IUPAC Name2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide
SMILESCC(=O)Nc1cnn(CC(=O)Nc2ccc3ocnc3c2)n1
InChIInChI=1S/C13H12N6O3/c1-8(20)16-12-5-15-19(18-12)6-13(21)17-9-2-3-11-10(4-9)14-7-22-11/h2-5,7H,6H2,1H3,(H,17,21)(H,16,18,20)
InChIKeyXGNILAYWRDMUIJ-UHFFFAOYSA-N
XLogP1.02
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1,3-benzoxazol-2-yl)-1H-imidazo[4,5-b]pyridin-2-one
CID 44324669
1-(1,3-Benzoxazol-5-yl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
CID 71712715
N-[2-(1,3-benzoxazol-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide
CID 71934002
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26698851
N-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine
CID 53566379
N-(1,3-benzoxazol-2-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778183
N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778236
N-(1H-imidazol-2-ylmethyl)-2-(methoxymethyl)-1,3-benzoxazol-5-amine
CID 71975798
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,3-benzoxazol-5-amine
CID 164617725
3-(1,3-benzoxazol-2-yl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 8106414
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17457815
2,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641534

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide (CID 112525520) is 2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide is CC(=O)Nc1cnn(CC(=O)Nc2ccc3ocnc3c2)n1.
What is the InChIKey of 2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide?
The InChIKey is XGNILAYWRDMUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O3/c1-8(20)16-12-5-15-19(18-12)6-13(21)17-9-2-3-11-10(4-9)14-7-22-11/h2-5,7H,6H2,1H3,(H,17,21)(H,16,18,20).
What are the key properties of 2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide?
2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide has a molecular weight of 300.28 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidotriazol-2-yl)-N-(1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 112525520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).