N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)prop-2-enamide

C10H12N2O2 — CID 166419653

IUPACN-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1noc2c1CCCC2
InChIInChI=1S/C10H12N2O2/c1-2-9(13)11-10-7-5-3-4-6-8(7)14-12-10/h2H,1,3-6H2,(H,11,12,13)
InChIKeyRXMCGBPKNUXECD-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.68
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)prop-2-enamide

N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)prop-2-enamide (PubChem CID 166419653) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)prop-2-enamide
PubChem CID166419653
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1noc2c1CCCC2
InChIInChI=1S/C10H12N2O2/c1-2-9(13)11-10-7-5-3-4-6-8(7)14-12-10/h2H,1,3-6H2,(H,11,12,13)
InChIKeyRXMCGBPKNUXECD-UHFFFAOYSA-N
XLogP1.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 112711062
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CID 118564555
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CID 134548275
CID 134548275
CID 141544180
CID 141544180
CID 85844775
CID 85844775
CID 136569316
CID 136569316
CID 136569317
CID 136569317
CID 139019044
CID 139019044
CID 146100619
CID 146100619

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)prop-2-enamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)prop-2-enamide (CID 166419653) is N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)prop-2-enamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)prop-2-enamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)prop-2-enamide is C=CC(=O)Nc1noc2c1CCCC2.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)prop-2-enamide?
The InChIKey is RXMCGBPKNUXECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-9(13)11-10-7-5-3-4-6-8(7)14-12-10/h2H,1,3-6H2,(H,11,12,13).
What are the key properties of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)prop-2-enamide?
N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)prop-2-enamide has a molecular weight of 192.22 g/mol, XLogP of 1.68, 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)prop-2-enamide is sourced from PubChem (CID 166419653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).