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

C15H22N6O2 — CID 56717731

IUPAC3-propan-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2nnc3n2CCNCC3)on1
InChIInChI=1S/C15H22N6O2/c1-10(2)11-9-12(23-20-11)15(22)17-6-4-14-19-18-13-3-5-16-7-8-21(13)14/h9-10,16H,3-8H2,1-2H3,(H,17,22)
InChIKeyXINMNPDGDPLZTB-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.51
Rot. Bonds5

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

3-propan-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 56717731) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-propan-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID56717731
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name3-propan-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2nnc3n2CCNCC3)on1
InChIInChI=1S/C15H22N6O2/c1-10(2)11-9-12(23-20-11)15(22)17-6-4-14-19-18-13-3-5-16-7-8-21(13)14/h9-10,16H,3-8H2,1-2H3,(H,17,22)
InChIKeyXINMNPDGDPLZTB-UHFFFAOYSA-N
XLogP0.51
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 119168836
N-(3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 75473570
N-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 86948151
7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid
CID 119227538
2-methoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)benzamide
CID 118759606
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 84584001
N-[2-[7-(2-methylbutyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]furan-2-carboxamide
CID 45204882
3-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine;hydrochloride
CID 163340773
1-(2-methylpropyl)-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide
CID 86800571
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 86948344
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 97125005
3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propan-1-ol
CID 165420775

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-propan-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,2-oxazole-5-carboxamide (CID 56717731) is 3-propan-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)NCCc2nnc3n2CCNCC3)on1.
What is the InChIKey of 3-propan-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is XINMNPDGDPLZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-10(2)11-9-12(23-20-11)15(22)17-6-4-14-19-18-13-3-5-16-7-8-21(13)14/h9-10,16H,3-8H2,1-2H3,(H,17,22).
What are the key properties of 3-propan-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,2-oxazole-5-carboxamide?
3-propan-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56717731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).