2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide

C15H22N6O2 — CID 56710815

IUPAC2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC(C)c2nnc3n2CCNCC3)o1
InChIInChI=1S/C15H22N6O2/c1-4-12-17-9(2)13(23-12)15(22)18-10(3)14-20-19-11-5-6-16-7-8-21(11)14/h10,16H,4-8H2,1-3H3,(H,18,22)
InChIKeyNXMROPWEOPGLAA-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.77
Rot. Bonds4

About 2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide

2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide (PubChem CID 56710815) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide
PubChem CID56710815
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC(C)c2nnc3n2CCNCC3)o1
InChIInChI=1S/C15H22N6O2/c1-4-12-17-9(2)13(23-12)15(22)18-10(3)14-20-19-11-5-6-16-7-8-21(11)14/h10,16H,4-8H2,1-3H3,(H,18,22)
InChIKeyNXMROPWEOPGLAA-UHFFFAOYSA-N
XLogP0.77
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide (CID 56710815) is 2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NC(C)c2nnc3n2CCNCC3)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is NXMROPWEOPGLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-4-12-17-9(2)13(23-12)15(22)18-10(3)14-20-19-11-5-6-16-7-8-21(11)14/h10,16H,4-8H2,1-3H3,(H,18,22).
What are the key properties of 2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 56710815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).