N-(1H-indol-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

C17H17N3O2 — CID 45494395

IUPACN-(1H-indol-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)c1noc2c1CCCCC2
InChIInChI=1S/C17H17N3O2/c21-17(16-13-4-2-1-3-5-15(13)22-20-16)19-12-7-6-11-8-9-18-14(11)10-12/h6-10,18H,1-5H2,(H,19,21)
InChIKeyHUHHJSOFOPRMGI-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.68
Rot. Bonds2

About N-(1H-indol-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

N-(1H-indol-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (PubChem CID 45494395) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
PubChem CID45494395
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(1H-indol-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)c1noc2c1CCCCC2
InChIInChI=1S/C17H17N3O2/c21-17(16-13-4-2-1-3-5-15(13)22-20-16)19-12-7-6-11-8-9-18-14(11)10-12/h6-10,18H,1-5H2,(H,19,21)
InChIKeyHUHHJSOFOPRMGI-UHFFFAOYSA-N
XLogP3.68
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(1H-indol-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (CID 45494395) is N-(1H-indol-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(1H-indol-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(1H-indol-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is O=C(Nc1ccc2cc[nH]c2c1)c1noc2c1CCCCC2.
What is the InChIKey of N-(1H-indol-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The InChIKey is HUHHJSOFOPRMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-17(16-13-4-2-1-3-5-15(13)22-20-16)19-12-7-6-11-8-9-18-14(11)10-12/h6-10,18H,1-5H2,(H,19,21).
What are the key properties of N-(1H-indol-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
N-(1H-indol-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 45494395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).