1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone

C22H23NO2 — CID 11823807

IUPAC1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone
SMILESCC(=O)[C@@H]1c2ccccc2-c2ccccc2[C@]1(C)C1=NC(C)(C)CO1
InChIInChI=1S/C22H23NO2/c1-14(24)19-17-11-6-5-9-15(17)16-10-7-8-12-18(16)22(19,4)20-23-21(2,3)13-25-20/h5-12,19H,13H2,1-4H3/t19-,22+/m1/s1
InChIKeyRYXUKITXOQAKMM-KNQAVFIVSA-N
MW333.43 g/mol
LogP4.50
Rot. Bonds2

About 1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone

1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone (PubChem CID 11823807) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone.

Molecular Properties

Compound Name1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone
PubChem CID11823807
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone
SMILESCC(=O)[C@@H]1c2ccccc2-c2ccccc2[C@]1(C)C1=NC(C)(C)CO1
InChIInChI=1S/C22H23NO2/c1-14(24)19-17-11-6-5-9-15(17)16-10-7-8-12-18(16)22(19,4)20-23-21(2,3)13-25-20/h5-12,19H,13H2,1-4H3/t19-,22+/m1/s1
InChIKeyRYXUKITXOQAKMM-KNQAVFIVSA-N
XLogP4.50
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone with MolForge

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Related Compounds

2-[(2R,3S)-3-(2-chlorophenyl)-2-methyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
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(1R,4S)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-(3-methylbut-2-enyl)-N,N-bis(prop-2-enyl)-1H-naphthalen-1-amine
CID 15399450
2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 15880000
(1R,4S)-N,N,4-tribenzyl-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1H-naphthalen-1-amine
CID 10529765
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CID 10583839
1-[(9R)-9,10-dihydrophenanthren-9-yl]ethanone
CID 102253511
4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole
CID 139090329
(4R)-4-(4-chlorobutyl)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxynaphthalen-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone?
The IUPAC name of 1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone (CID 11823807) is 1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone.
What is the SMILES notation for 1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone?
The canonical SMILES for 1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone is CC(=O)[C@@H]1c2ccccc2-c2ccccc2[C@]1(C)C1=NC(C)(C)CO1.
What is the InChIKey of 1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone?
The InChIKey is RYXUKITXOQAKMM-KNQAVFIVSA-N. The full InChI is InChI=1S/C22H23NO2/c1-14(24)19-17-11-6-5-9-15(17)16-10-7-8-12-18(16)22(19,4)20-23-21(2,3)13-25-20/h5-12,19H,13H2,1-4H3/t19-,22+/m1/s1.
What are the key properties of 1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone?
1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone has a molecular weight of 333.43 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone is sourced from PubChem (CID 11823807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).