N-[4-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide

C19H20N6O3 — CID 134802977

IUPACN-[4-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnc3n2CCN(C(=O)c2c(C)noc2C)C3)cc1
InChIInChI=1S/C19H20N6O3/c1-11-17(12(2)28-23-11)19(27)24-8-9-25-16(10-24)21-22-18(25)14-4-6-15(7-5-14)20-13(3)26/h4-7H,8-10H2,1-3H3,(H,20,26)
InChIKeyNHEDIKZODATPIX-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.16
Rot. Bonds3

About N-[4-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide

N-[4-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide (PubChem CID 134802977) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[4-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide
PubChem CID134802977
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-[4-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnc3n2CCN(C(=O)c2c(C)noc2C)C3)cc1
InChIInChI=1S/C19H20N6O3/c1-11-17(12(2)28-23-11)19(27)24-8-9-25-16(10-24)21-22-18(25)14-4-6-15(7-5-14)20-13(3)26/h4-7H,8-10H2,1-3H3,(H,20,26)
InChIKeyNHEDIKZODATPIX-UHFFFAOYSA-N
XLogP2.16
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide (CID 134802977) is N-[4-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nnc3n2CCN(C(=O)c2c(C)noc2C)C3)cc1.
What is the InChIKey of N-[4-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide?
The InChIKey is NHEDIKZODATPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-11-17(12(2)28-23-11)19(27)24-8-9-25-16(10-24)21-22-18(25)14-4-6-15(7-5-14)20-13(3)26/h4-7H,8-10H2,1-3H3,(H,20,26).
What are the key properties of N-[4-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide?
N-[4-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide has a molecular weight of 380.41 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 134802977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).