(2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide

C16H19N5O3 — CID 131656996

IUPAC(2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide
SMILESO=C(NCC1Cn2nnc(-c3cccnc3)c2CO1)[C@H]1CCCO1
InChIInChI=1S/C16H19N5O3/c22-16(14-4-2-6-23-14)18-8-12-9-21-13(10-24-12)15(19-20-21)11-3-1-5-17-7-11/h1,3,5,7,12,14H,2,4,6,8-10H2,(H,18,22)/t12?,14-/m1/s1
InChIKeySIBBTPWKJUBDHK-TYZXPVIJSA-N
MW329.36 g/mol
LogP0.53
Rot. Bonds4

About (2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide

(2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide (PubChem CID 131656996) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide
PubChem CID131656996
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide
SMILESO=C(NCC1Cn2nnc(-c3cccnc3)c2CO1)[C@H]1CCCO1
InChIInChI=1S/C16H19N5O3/c22-16(14-4-2-6-23-14)18-8-12-9-21-13(10-24-12)15(19-20-21)11-3-1-5-17-7-11/h1,3,5,7,12,14H,2,4,6,8-10H2,(H,18,22)/t12?,14-/m1/s1
InChIKeySIBBTPWKJUBDHK-TYZXPVIJSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2R,6R)-4-[(4-fluorophenyl)methyl]-10-pyridin-3-yl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 86297181
N-[6-[1-(oxolane-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 68752352
1-(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 118739033
1-(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 118739036
1-(oxan-4-yl)-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]methanamine
CID 118739123
N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide
CID 118741070
N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrrole-2-carboxamide
CID 118741074
N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide
CID 118741077
1-[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 118741116
1-[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 118741120
1-[3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 118741125
2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide
CID 118743015

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide (CID 131656996) is (2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide is O=C(NCC1Cn2nnc(-c3cccnc3)c2CO1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide?
The InChIKey is SIBBTPWKJUBDHK-TYZXPVIJSA-N. The full InChI is InChI=1S/C16H19N5O3/c22-16(14-4-2-6-23-14)18-8-12-9-21-13(10-24-12)15(19-20-21)11-3-1-5-17-7-11/h1,3,5,7,12,14H,2,4,6,8-10H2,(H,18,22)/t12?,14-/m1/s1.
What are the key properties of (2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide?
(2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-pyridin-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 131656996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).