(1S)-N-(1,2-oxazol-4-yl)cyclohex-3-ene-1-carboxamide

C10H12N2O2 — CID 95986273

IUPAC(1S)-N-(1,2-oxazol-4-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1cnoc1)[C@@H]1CC=CCC1
InChIInChI=1S/C10H12N2O2/c13-10(8-4-2-1-3-5-8)12-9-6-11-14-7-9/h1-2,6-8H,3-5H2,(H,12,13)/t8-/m1/s1
InChIKeyRWTJBLUEEPNUAA-MRVPVSSYSA-N
MW192.22 g/mol
LogP1.97
Rot. Bonds2

About (1S)-N-(1,2-oxazol-4-yl)cyclohex-3-ene-1-carboxamide

(1S)-N-(1,2-oxazol-4-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 95986273) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (1S)-N-(1,2-oxazol-4-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(1,2-oxazol-4-yl)cyclohex-3-ene-1-carboxamide
PubChem CID95986273
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(1S)-N-(1,2-oxazol-4-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1cnoc1)[C@@H]1CC=CCC1
InChIInChI=1S/C10H12N2O2/c13-10(8-4-2-1-3-5-8)12-9-6-11-14-7-9/h1-2,6-8H,3-5H2,(H,12,13)/t8-/m1/s1
InChIKeyRWTJBLUEEPNUAA-MRVPVSSYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(1,2-oxazol-4-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-(1,2-oxazol-4-yl)cyclohex-3-ene-1-carboxamide (CID 95986273) is (1S)-N-(1,2-oxazol-4-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-(1,2-oxazol-4-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-(1,2-oxazol-4-yl)cyclohex-3-ene-1-carboxamide is O=C(Nc1cnoc1)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-(1,2-oxazol-4-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is RWTJBLUEEPNUAA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(8-4-2-1-3-5-8)12-9-6-11-14-7-9/h1-2,6-8H,3-5H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (1S)-N-(1,2-oxazol-4-yl)cyclohex-3-ene-1-carboxamide?
(1S)-N-(1,2-oxazol-4-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(1,2-oxazol-4-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 95986273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).