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

C17H26N6O2 — CID 56711712

IUPACN-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NC(c1nnc2n1CCNCC2)C(C)C
InChIInChI=1S/C17H26N6O2/c1-10(2)13(16-22-21-12-5-6-18-7-8-23(12)16)20-17(24)14-15(11(3)4)25-9-19-14/h9-11,13,18H,5-8H2,1-4H3,(H,20,24)
InChIKeyQMTLTHKZYKPLCF-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.66
Rot. Bonds5

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

N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 56711712) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID56711712
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NC(c1nnc2n1CCNCC2)C(C)C
InChIInChI=1S/C17H26N6O2/c1-10(2)13(16-22-21-12-5-6-18-7-8-23(12)16)20-17(24)14-15(11(3)4)25-9-19-14/h9-11,13,18H,5-8H2,1-4H3,(H,20,24)
InChIKeyQMTLTHKZYKPLCF-UHFFFAOYSA-N
XLogP1.66
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 56711712) is N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)NC(c1nnc2n1CCNCC2)C(C)C.
What is the InChIKey of N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is QMTLTHKZYKPLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-10(2)13(16-22-21-12-5-6-18-7-8-23(12)16)20-17(24)14-15(11(3)4)25-9-19-14/h9-11,13,18H,5-8H2,1-4H3,(H,20,24).
What are the key properties of N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56711712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).