4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide

C18H17N5O3 — CID 9021135

IUPAC4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)NCc1nnc2ccccn12
InChIInChI=1S/C18H17N5O3/c24-17(19-12-16-21-20-15-8-3-4-10-23(15)16)9-5-11-22-13-6-1-2-7-14(13)26-18(22)25/h1-4,6-8,10H,5,9,11-12H2,(H,19,24)
InChIKeyHNUBMYMVIUEFCL-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.73
Rot. Bonds6

About 4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide

4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide (PubChem CID 9021135) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
PubChem CID9021135
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)NCc1nnc2ccccn12
InChIInChI=1S/C18H17N5O3/c24-17(19-12-16-21-20-15-8-3-4-10-23(15)16)9-5-11-22-13-6-1-2-7-14(13)26-18(22)25/h1-4,6-8,10H,5,9,11-12H2,(H,19,24)
InChIKeyHNUBMYMVIUEFCL-UHFFFAOYSA-N
XLogP1.73
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide with MolForge

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Related Compounds

3-(2-oxo-1-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 78866152
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)butanamide
CID 55387623
4-oxo-4-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 40709596
4-(propan-2-ylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 61274404
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 55729558
N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 46454589
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9440861
3-(4-bromoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 71706479
methyl 6-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]hexanoate
CID 9221034
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 18110295
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 7974357
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide
CID 39951889

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide (CID 9021135) is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide is O=C(CCCn1c(=O)oc2ccccc21)NCc1nnc2ccccn12.
What is the InChIKey of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide?
The InChIKey is HNUBMYMVIUEFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-17(19-12-16-21-20-15-8-3-4-10-23(15)16)9-5-11-22-13-6-1-2-7-14(13)26-18(22)25/h1-4,6-8,10H,5,9,11-12H2,(H,19,24).
What are the key properties of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide?
4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide has a molecular weight of 351.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 9021135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).