3-(1,2-oxazol-3-yl)-N-(2H-triazol-4-yl)propanamide

C8H9N5O2 — CID 154867618

IUPAC3-(1,2-oxazol-3-yl)-N-(2H-triazol-4-yl)propanamide
SMILESO=C(CCc1ccon1)Nc1cn[nH]n1
InChIInChI=1S/C8H9N5O2/c14-8(10-7-5-9-13-11-7)2-1-6-3-4-15-12-6/h3-5H,1-2H2,(H2,9,10,11,13,14)
InChIKeyRJQCPJFUWJPALB-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.36
Rot. Bonds4

About 3-(1,2-oxazol-3-yl)-N-(2H-triazol-4-yl)propanamide

3-(1,2-oxazol-3-yl)-N-(2H-triazol-4-yl)propanamide (PubChem CID 154867618) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-yl)-N-(2H-triazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(1,2-oxazol-3-yl)-N-(2H-triazol-4-yl)propanamide
PubChem CID154867618
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name3-(1,2-oxazol-3-yl)-N-(2H-triazol-4-yl)propanamide
SMILESO=C(CCc1ccon1)Nc1cn[nH]n1
InChIInChI=1S/C8H9N5O2/c14-8(10-7-5-9-13-11-7)2-1-6-3-4-15-12-6/h3-5H,1-2H2,(H2,9,10,11,13,14)
InChIKeyRJQCPJFUWJPALB-UHFFFAOYSA-N
XLogP0.36
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide
CID 155949741
5-(1,2-oxazol-3-yl)pentanoic acid
CID 174347954
(4-fluorophenyl) 3-(1,2-oxazol-3-yl)propanoate
CID 174614806
6-(1,2-oxazol-3-yl)hexanamide
CID 90927084
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533
4-amino-N-(1,2-oxazol-3-yl)butanamide
CID 62903598
[3-(1,2-oxazol-3-ylamino)-3-oxopropyl]phosphonic acid
CID 71724313
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1,2-oxazol-3-yl)propanamide
CID 71689014
N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide
CID 79493303
N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 75393708
N-(4-bromophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110859681
N-(1,2-oxazol-3-yl)-3-oxobutanamide
CID 62902230

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-3-yl)-N-(2H-triazol-4-yl)propanamide?
The IUPAC name of 3-(1,2-oxazol-3-yl)-N-(2H-triazol-4-yl)propanamide (CID 154867618) is 3-(1,2-oxazol-3-yl)-N-(2H-triazol-4-yl)propanamide.
What is the SMILES notation for 3-(1,2-oxazol-3-yl)-N-(2H-triazol-4-yl)propanamide?
The canonical SMILES for 3-(1,2-oxazol-3-yl)-N-(2H-triazol-4-yl)propanamide is O=C(CCc1ccon1)Nc1cn[nH]n1.
What is the InChIKey of 3-(1,2-oxazol-3-yl)-N-(2H-triazol-4-yl)propanamide?
The InChIKey is RJQCPJFUWJPALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c14-8(10-7-5-9-13-11-7)2-1-6-3-4-15-12-6/h3-5H,1-2H2,(H2,9,10,11,13,14).
What are the key properties of 3-(1,2-oxazol-3-yl)-N-(2H-triazol-4-yl)propanamide?
3-(1,2-oxazol-3-yl)-N-(2H-triazol-4-yl)propanamide has a molecular weight of 207.19 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-3-yl)-N-(2H-triazol-4-yl)propanamide is sourced from PubChem (CID 154867618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).