N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

C17H24N2O3 — CID 128666846

IUPACN-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESO=C(NCCC1CC2CCC1O2)c1noc2c1CCCCC2
InChIInChI=1S/C17H24N2O3/c20-17(16-13-4-2-1-3-5-15(13)22-19-16)18-9-8-11-10-12-6-7-14(11)21-12/h11-12,14H,1-10H2,(H,18,20)
InChIKeySGIWIIXMWZBXMT-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.63
Rot. Bonds4

About N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (PubChem CID 128666846) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
PubChem CID128666846
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESO=C(NCCC1CC2CCC1O2)c1noc2c1CCCCC2
InChIInChI=1S/C17H24N2O3/c20-17(16-13-4-2-1-3-5-15(13)22-19-16)18-9-8-11-10-12-6-7-14(11)21-12/h11-12,14H,1-10H2,(H,18,20)
InChIKeySGIWIIXMWZBXMT-UHFFFAOYSA-N
XLogP2.63
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (CID 128666846) is N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is O=C(NCCC1CC2CCC1O2)c1noc2c1CCCCC2.
What is the InChIKey of N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The InChIKey is SGIWIIXMWZBXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-17(16-13-4-2-1-3-5-15(13)22-19-16)18-9-8-11-10-12-6-7-14(11)21-12/h11-12,14H,1-10H2,(H,18,20).
What are the key properties of N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 128666846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).