N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide

C16H18N4O2 — CID 166307084

IUPACN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide
SMILESO=C(N[C@H]1CCCc2ccccc21)c1nnc2n1CCOC2
InChIInChI=1S/C16H18N4O2/c21-16(15-19-18-14-10-22-9-8-20(14)15)17-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,13H,3,5,7-10H2,(H,17,21)/t13-/m0/s1
InChIKeyCQEBJANYXJNJCH-ZDUSSCGKSA-N
MW298.35 g/mol
LogP1.62
Rot. Bonds2

About N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide (PubChem CID 166307084) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide
PubChem CID166307084
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide
SMILESO=C(N[C@H]1CCCc2ccccc21)c1nnc2n1CCOC2
InChIInChI=1S/C16H18N4O2/c21-16(15-19-18-14-10-22-9-8-20(14)15)17-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,13H,3,5,7-10H2,(H,17,21)/t13-/m0/s1
InChIKeyCQEBJANYXJNJCH-ZDUSSCGKSA-N
XLogP1.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide with MolForge

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Related Compounds

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 40653878
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide
CID 124727741
4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450785
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-2-carboxamide
CID 5135545
4-piperidin-1-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679214
1-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-3-carboxamide
CID 35324690
4-piperidin-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679213
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide?
The IUPAC name of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide (CID 166307084) is N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide?
The canonical SMILES for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide is O=C(N[C@H]1CCCc2ccccc21)c1nnc2n1CCOC2.
What is the InChIKey of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide?
The InChIKey is CQEBJANYXJNJCH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(15-19-18-14-10-22-9-8-20(14)15)17-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,13H,3,5,7-10H2,(H,17,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide?
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 166307084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).