N-[[(7S)-3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]-2-pyridin-2-ylacetamide

C15H19N5O2 — CID 97469400

IUPACN-[[(7S)-3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]-2-pyridin-2-ylacetamide
SMILESCc1nnn2c1COC[C@@H](CNC(=O)Cc1ccccn1)C2
InChIInChI=1S/C15H19N5O2/c1-11-14-10-22-9-12(8-20(14)19-18-11)7-17-15(21)6-13-4-2-3-5-16-13/h2-5,12H,6-10H2,1H3,(H,17,21)/t12-/m0/s1
InChIKeyZSXGPPITDFMSSK-LBPRGKRZSA-N
MW301.35 g/mol
LogP0.49
Rot. Bonds4

About N-[[(7S)-3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]-2-pyridin-2-ylacetamide

N-[[(7S)-3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]-2-pyridin-2-ylacetamide (PubChem CID 97469400) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[[(7S)-3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[[(7S)-3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]-2-pyridin-2-ylacetamide
PubChem CID97469400
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[[(7S)-3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]-2-pyridin-2-ylacetamide
SMILESCc1nnn2c1COC[C@@H](CNC(=O)Cc1ccccn1)C2
InChIInChI=1S/C15H19N5O2/c1-11-14-10-22-9-12(8-20(14)19-18-11)7-17-15(21)6-13-4-2-3-5-16-13/h2-5,12H,6-10H2,1H3,(H,17,21)/t12-/m0/s1
InChIKeyZSXGPPITDFMSSK-LBPRGKRZSA-N
XLogP0.49
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[[(7S)-3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]-2-pyridin-2-ylacetamide (CID 97469400) is N-[[(7S)-3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[[(7S)-3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[[(7S)-3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]-2-pyridin-2-ylacetamide is Cc1nnn2c1COC[C@@H](CNC(=O)Cc1ccccn1)C2.
What is the InChIKey of N-[[(7S)-3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]-2-pyridin-2-ylacetamide?
The InChIKey is ZSXGPPITDFMSSK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-11-14-10-22-9-12(8-20(14)19-18-11)7-17-15(21)6-13-4-2-3-5-16-13/h2-5,12H,6-10H2,1H3,(H,17,21)/t12-/m0/s1.
What are the key properties of N-[[(7S)-3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]-2-pyridin-2-ylacetamide?
N-[[(7S)-3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]-2-pyridin-2-ylacetamide has a molecular weight of 301.35 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7S)-3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 97469400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).