N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.5]octane-6-carboxamide

C16H22N2O2 — CID 167858495

IUPACN-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.5]octane-6-carboxamide
SMILESO=C(Nc1noc2c1CCCC2)C1CCC2(CC1)CC2
InChIInChI=1S/C16H22N2O2/c19-15(11-5-7-16(8-6-11)9-10-16)17-14-12-3-1-2-4-13(12)20-18-14/h11H,1-10H2,(H,17,18,19)
InChIKeyNIHCMQANMCRYSP-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.46
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.5]octane-6-carboxamide

N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.5]octane-6-carboxamide (PubChem CID 167858495) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.5]octane-6-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.5]octane-6-carboxamide
PubChem CID167858495
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.5]octane-6-carboxamide
SMILESO=C(Nc1noc2c1CCCC2)C1CCC2(CC1)CC2
InChIInChI=1S/C16H22N2O2/c19-15(11-5-7-16(8-6-11)9-10-16)17-14-12-3-1-2-4-13(12)20-18-14/h11H,1-10H2,(H,17,18,19)
InChIKeyNIHCMQANMCRYSP-UHFFFAOYSA-N
XLogP3.46
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.5]octane-6-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.5]octane-6-carboxamide (CID 167858495) is N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.5]octane-6-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.5]octane-6-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.5]octane-6-carboxamide is O=C(Nc1noc2c1CCCC2)C1CCC2(CC1)CC2.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.5]octane-6-carboxamide?
The InChIKey is NIHCMQANMCRYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15(11-5-7-16(8-6-11)9-10-16)17-14-12-3-1-2-4-13(12)20-18-14/h11H,1-10H2,(H,17,18,19).
What are the key properties of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.5]octane-6-carboxamide?
N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.5]octane-6-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.5]octane-6-carboxamide is sourced from PubChem (CID 167858495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).