6-methyl-6-(1,3-oxazol-2-yl)cyclohexa-2,4-diene-1-carboxamide

C11H12N2O2 — CID 69492948

IUPAC6-methyl-6-(1,3-oxazol-2-yl)cyclohexa-2,4-diene-1-carboxamide
SMILESCC1(c2ncco2)C=CC=CC1C(N)=O
InChIInChI=1S/C11H12N2O2/c1-11(10-13-6-7-15-10)5-3-2-4-8(11)9(12)14/h2-8H,1H3,(H2,12,14)
InChIKeyMPBOAQRIOCYTCE-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.16
Rot. Bonds2

About 6-methyl-6-(1,3-oxazol-2-yl)cyclohexa-2,4-diene-1-carboxamide

6-methyl-6-(1,3-oxazol-2-yl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 69492948) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-methyl-6-(1,3-oxazol-2-yl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-methyl-6-(1,3-oxazol-2-yl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID69492948
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name6-methyl-6-(1,3-oxazol-2-yl)cyclohexa-2,4-diene-1-carboxamide
SMILESCC1(c2ncco2)C=CC=CC1C(N)=O
InChIInChI=1S/C11H12N2O2/c1-11(10-13-6-7-15-10)5-3-2-4-8(11)9(12)14/h2-8H,1H3,(H2,12,14)
InChIKeyMPBOAQRIOCYTCE-UHFFFAOYSA-N
XLogP1.16
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-(1,3-oxazol-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-methyl-6-(1,3-oxazol-2-yl)cyclohexa-2,4-diene-1-carboxamide (CID 69492948) is 6-methyl-6-(1,3-oxazol-2-yl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-methyl-6-(1,3-oxazol-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-methyl-6-(1,3-oxazol-2-yl)cyclohexa-2,4-diene-1-carboxamide is CC1(c2ncco2)C=CC=CC1C(N)=O.
What is the InChIKey of 6-methyl-6-(1,3-oxazol-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is MPBOAQRIOCYTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-11(10-13-6-7-15-10)5-3-2-4-8(11)9(12)14/h2-8H,1H3,(H2,12,14).
What are the key properties of 6-methyl-6-(1,3-oxazol-2-yl)cyclohexa-2,4-diene-1-carboxamide?
6-methyl-6-(1,3-oxazol-2-yl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-(1,3-oxazol-2-yl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 69492948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).