[(4S,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol

C19H21NO2 — CID 15529148

IUPAC[(4S,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol
SMILESCc1cc(C)c(C2=NO[C@@H](c3ccccc3)[C@@H]2CO)c(C)c1
InChIInChI=1S/C19H21NO2/c1-12-9-13(2)17(14(3)10-12)18-16(11-21)19(22-20-18)15-7-5-4-6-8-15/h4-10,16,19,21H,11H2,1-3H3/t16-,19+/m1/s1
InChIKeyNJAKVKYYYAWBAF-APWZRJJASA-N
MW295.38 g/mol
LogP3.70
Rot. Bonds3

About [(4S,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol

[(4S,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol (PubChem CID 15529148) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is [(4S,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol
PubChem CID15529148
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name[(4S,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol
SMILESCc1cc(C)c(C2=NO[C@@H](c3ccccc3)[C@@H]2CO)c(C)c1
InChIInChI=1S/C19H21NO2/c1-12-9-13(2)17(14(3)10-12)18-16(11-21)19(22-20-18)15-7-5-4-6-8-15/h4-10,16,19,21H,11H2,1-3H3/t16-,19+/m1/s1
InChIKeyNJAKVKYYYAWBAF-APWZRJJASA-N
XLogP3.70
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide
CID 102186329
benzyl (4R,5S)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 98745565
(4R,5R)-5-(4-nitrophenyl)-4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole
CID 10620179
ethyl (4R,5R)-5-(4-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 135006500
(4R,5R)-5-(3-nitrophenyl)-4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole
CID 10572214
3-(2,4,6-trimethylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole
CID 71398410
(3aS,4R,6E,6aS)-6-hydroxyimino-3-(2,4,6-trimethylphenyl)-3a,4,5,6a-tetrahydrocyclopenta[d][1,2]oxazol-4-ol
CID 10731039
(3aR,6aS)-3-(2,4,6-trimethylphenyl)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one
CID 10562093
(1R,5R,6S,7R)-6,7-dimethyl-4-(2,4,6-trimethylphenyl)-2-oxa-3-azabicyclo[3.2.0]hept-3-ene
CID 10514398
(1R,2R,6S,7R)-5-(2,4,6-trimethylphenyl)-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 98114078
(1R,2R,6R,7R)-5-(2,4,6-trimethylphenyl)-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 98114076
(3aS,11bS)-1-(2,4,6-trimethylphenyl)-3a,11b-dihydronaphtho[2,3-e][1,2]benzoxazole
CID 15306395

Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol?
The IUPAC name of [(4S,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol (CID 15529148) is [(4S,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [(4S,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [(4S,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol is Cc1cc(C)c(C2=NO[C@@H](c3ccccc3)[C@@H]2CO)c(C)c1.
What is the InChIKey of [(4S,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol?
The InChIKey is NJAKVKYYYAWBAF-APWZRJJASA-N. The full InChI is InChI=1S/C19H21NO2/c1-12-9-13(2)17(14(3)10-12)18-16(11-21)19(22-20-18)15-7-5-4-6-8-15/h4-10,16,19,21H,11H2,1-3H3/t16-,19+/m1/s1.
What are the key properties of [(4S,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol?
[(4S,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol has a molecular weight of 295.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 15529148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).