2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide

C18H21N5O2 — CID 126779890

IUPAC2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide
SMILESCC(C)c1nc2n(n1)CCCC2NC(=O)Cc1noc2ccccc12
InChIInChI=1S/C18H21N5O2/c1-11(2)17-20-18-13(7-5-9-23(18)21-17)19-16(24)10-14-12-6-3-4-8-15(12)25-22-14/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3,(H,19,24)
InChIKeyPBDKMZMRBUIKBR-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.74
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide (PubChem CID 126779890) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide
PubChem CID126779890
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide
SMILESCC(C)c1nc2n(n1)CCCC2NC(=O)Cc1noc2ccccc12
InChIInChI=1S/C18H21N5O2/c1-11(2)17-20-18-13(7-5-9-23(18)21-17)19-16(24)10-14-12-6-3-4-8-15(12)25-22-14/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3,(H,19,24)
InChIKeyPBDKMZMRBUIKBR-UHFFFAOYSA-N
XLogP2.74
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide with MolForge

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide
CID 128995165
2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide
CID 56703214
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 95193053
2-(1,2-benzoxazol-3-yl)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 91837332
2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide
CID 99608651
2-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 126778051
2-(1,2-benzoxazol-3-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534270
2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 94819513
6-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]pyridine-2-carboxylic acid
CID 167770775
2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide
CID 126792782
N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide
CID 52861521

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide (CID 126779890) is 2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide is CC(C)c1nc2n(n1)CCCC2NC(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide?
The InChIKey is PBDKMZMRBUIKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11(2)17-20-18-13(7-5-9-23(18)21-17)19-16(24)10-14-12-6-3-4-8-15(12)25-22-14/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3,(H,19,24).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide is sourced from PubChem (CID 126779890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).