6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen

C19H26N2O2 — CID 176940683

IUPAC6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen
SMILESCC1C2CCCC12.Cc1coc(-c2cc(NC=O)ccc2C)n1.[H][H]
InChIInChI=1S/C12H12N2O2.C7H12.H2/c1-8-3-4-10(13-7-15)5-11(8)12-14-9(2)6-16-12;1-5-6-3-2-4-7(5)6;/h3-7H,1-2H3,(H,13,15);5-7H,2-4H2,1H3;1H
InChIKeyJEJNMNGIHVVXDC-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.83
Rot. Bonds3

About 6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen

6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen (PubChem CID 176940683) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen.

Molecular Properties

Compound Name6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen
PubChem CID176940683
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen
SMILESCC1C2CCCC12.Cc1coc(-c2cc(NC=O)ccc2C)n1.[H][H]
InChIInChI=1S/C12H12N2O2.C7H12.H2/c1-8-3-4-10(13-7-15)5-11(8)12-14-9(2)6-16-12;1-5-6-3-2-4-7(5)6;/h3-7H,1-2H3,(H,13,15);5-7H,2-4H2,1H3;1H
InChIKeyJEJNMNGIHVVXDC-UHFFFAOYSA-N
XLogP4.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen with MolForge

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Related Compounds

2-hydroxy-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 110016334
N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine
CID 176940456
(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen
CID 176940436
3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119818797
N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119818830
1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122087034
(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 176940437
(1S)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-azabicyclo[2.2.1]heptan-2-amine
CID 176940655
(2R,6S)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
CID 128617710
N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
CID 128753344
3-cyclohexa-1,5-dien-1-yl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]butanamide;molecular hydrogen
CID 176940384
3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide
CID 127488638

Frequently Asked Questions

What is the IUPAC name of 6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen?
The IUPAC name of 6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen (CID 176940683) is 6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen.
What is the SMILES notation for 6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen?
The canonical SMILES for 6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen is CC1C2CCCC12.Cc1coc(-c2cc(NC=O)ccc2C)n1.[H][H].
What is the InChIKey of 6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen?
The InChIKey is JEJNMNGIHVVXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.C7H12.H2/c1-8-3-4-10(13-7-15)5-11(8)12-14-9(2)6-16-12;1-5-6-3-2-4-7(5)6;/h3-7H,1-2H3,(H,13,15);5-7H,2-4H2,1H3;1H.
What are the key properties of 6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen?
6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen has a molecular weight of 314.43 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen is sourced from PubChem (CID 176940683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).