(3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide

C16H19N5O3 — CID 97469321

IUPAC(3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NC[C@@H]1Cn2nnc(-c3cccnc3)c2CO1)[C@@H]1CCOC1
InChIInChI=1S/C16H19N5O3/c22-16(12-3-5-23-9-12)18-7-13-8-21-14(10-24-13)15(19-20-21)11-2-1-4-17-6-11/h1-2,4,6,12-13H,3,5,7-10H2,(H,18,22)/t12-,13-/m1/s1
InChIKeyOJBVBEPEMMLZRN-CHWSQXEVSA-N
MW329.36 g/mol
LogP0.39
Rot. Bonds4

About (3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide

(3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide (PubChem CID 97469321) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide
PubChem CID97469321
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NC[C@@H]1Cn2nnc(-c3cccnc3)c2CO1)[C@@H]1CCOC1
InChIInChI=1S/C16H19N5O3/c22-16(12-3-5-23-9-12)18-7-13-8-21-14(10-24-13)15(19-20-21)11-2-1-4-17-6-11/h1-2,4,6,12-13H,3,5,7-10H2,(H,18,22)/t12-,13-/m1/s1
InChIKeyOJBVBEPEMMLZRN-CHWSQXEVSA-N
XLogP0.39
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide (CID 97469321) is (3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide is O=C(NC[C@@H]1Cn2nnc(-c3cccnc3)c2CO1)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide?
The InChIKey is OJBVBEPEMMLZRN-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H19N5O3/c22-16(12-3-5-23-9-12)18-7-13-8-21-14(10-24-13)15(19-20-21)11-2-1-4-17-6-11/h1-2,4,6,12-13H,3,5,7-10H2,(H,18,22)/t12-,13-/m1/s1.
What are the key properties of (3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide?
(3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(6R)-3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 97469321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).