2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide

C14H16N2O3 — CID 146106823

IUPAC2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C1CCC2C1C2C(=O)Nc1noc2c1CCCC2
InChIInChI=1S/C14H16N2O3/c17-9-6-5-8-11(9)12(8)14(18)15-13-7-3-1-2-4-10(7)19-16-13/h8,11-12H,1-6H2,(H,15,16,18)
InChIKeyUPWVRSBENIYNGC-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.72
Rot. Bonds2

About 2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide

2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 146106823) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID146106823
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C1CCC2C1C2C(=O)Nc1noc2c1CCCC2
InChIInChI=1S/C14H16N2O3/c17-9-6-5-8-11(9)12(8)14(18)15-13-7-3-1-2-4-10(7)19-16-13/h8,11-12H,1-6H2,(H,15,16,18)
InChIKeyUPWVRSBENIYNGC-UHFFFAOYSA-N
XLogP1.72
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

(2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide
CID 166001303
(9S)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide
CID 164638909
N-(5-butan-2-yl-4-pentyl-1,2-oxazol-3-yl)propanamide
CID 141544180
N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide
CID 136569317
N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide
CID 139019044
4-acetyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
CID 146139776
1-(4,5,6,7-Tetrahydro-1,2-benzoxazol-3-yl)-3-(1,2,2-trimethylcyclopropyl)urea
CID 154802422
N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)prop-2-enamide
CID 166419653
1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide
CID 167780345
N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.5]octane-6-carboxamide
CID 167858495

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of 2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide (CID 146106823) is 2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for 2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for 2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide is O=C1CCC2C1C2C(=O)Nc1noc2c1CCCC2.
What is the InChIKey of 2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is UPWVRSBENIYNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-9-6-5-8-11(9)12(8)14(18)15-13-7-3-1-2-4-10(7)19-16-13/h8,11-12H,1-6H2,(H,15,16,18).
What are the key properties of 2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide?
2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 146106823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).