2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole

C13H19NO — CID 14938238

IUPAC2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESC[C@@H]1C=CC=C(C2=NC(C)(C)CO2)[C@H]1C
InChIInChI=1S/C13H19NO/c1-9-6-5-7-11(10(9)2)12-14-13(3,4)8-15-12/h5-7,9-10H,8H2,1-4H3/t9-,10+/m1/s1
InChIKeyGNIFOUFLYRVREM-ZJUUUORDSA-N
MW205.30 g/mol
LogP2.96
Rot. Bonds1

About 2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole

2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 14938238) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID14938238
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESC[C@@H]1C=CC=C(C2=NC(C)(C)CO2)[C@H]1C
InChIInChI=1S/C13H19NO/c1-9-6-5-7-11(10(9)2)12-14-13(3,4)8-15-12/h5-7,9-10H,8H2,1-4H3/t9-,10+/m1/s1
InChIKeyGNIFOUFLYRVREM-ZJUUUORDSA-N
XLogP2.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S,6R)-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylcyclohexa-2,4-dien-1-yl]propan-1-one
CID 14938241
2-[(5S,6R)-6-butyl-5-prop-2-enylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 14938253
2-[(5R,6S)-6-butyl-5-prop-2-ynylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 10355846
2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 4296341
3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 138509304
2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 122386748
4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole
CID 13268818
4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole
CID 45099307
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzene-2-id-1-yl]-4,4-dimethyl-5H-1,3-oxazole;iron
CID 177499917
tetrakis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]boranuide
CID 53355034
4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]cyclohexan-1-one
CID 22633616
2-(3,4-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 12872558

Frequently Asked Questions

What is the IUPAC name of 2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 14938238) is 2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole is C[C@@H]1C=CC=C(C2=NC(C)(C)CO2)[C@H]1C.
What is the InChIKey of 2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is GNIFOUFLYRVREM-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-6-5-7-11(10(9)2)12-14-13(3,4)8-15-12/h5-7,9-10H,8H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of 2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 205.30 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 14938238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).