N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide

C16H20N4O3 — CID 136554535

IUPACN-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide
SMILESCCn1ncc2c1CCCC2NC(=O)c1noc2c1COCC2
InChIInChI=1S/C16H20N4O3/c1-2-20-13-5-3-4-12(10(13)8-17-20)18-16(21)15-11-9-22-7-6-14(11)23-19-15/h8,12H,2-7,9H2,1H3,(H,18,21)
InChIKeyLESUQOCBJMVZGM-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.77
Rot. Bonds3

About N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide

N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 136554535) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID136554535
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide
SMILESCCn1ncc2c1CCCC2NC(=O)c1noc2c1COCC2
InChIInChI=1S/C16H20N4O3/c1-2-20-13-5-3-4-12(10(13)8-17-20)18-16(21)15-11-9-22-7-6-14(11)23-19-15/h8,12H,2-7,9H2,1H3,(H,18,21)
InChIKeyLESUQOCBJMVZGM-UHFFFAOYSA-N
XLogP1.77
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide (CID 136554535) is N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide is CCn1ncc2c1CCCC2NC(=O)c1noc2c1COCC2.
What is the InChIKey of N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is LESUQOCBJMVZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-2-20-13-5-3-4-12(10(13)8-17-20)18-16(21)15-11-9-22-7-6-14(11)23-19-15/h8,12H,2-7,9H2,1H3,(H,18,21).
What are the key properties of N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide?
N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 136554535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).