(2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine

C14H17N3O — CID 100919390

IUPAC(2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
SMILESC[C@H]1[C@@H](c2ccccc2)O[C@@H](c2ncc[nH]2)N1C
InChIInChI=1S/C14H17N3O/c1-10-12(11-6-4-3-5-7-11)18-14(17(10)2)13-15-8-9-16-13/h3-10,12,14H,1-2H3,(H,15,16)/t10-,12-,14-/m0/s1
InChIKeyLLYIICXUMQCCLQ-JKOKRWQUSA-N
MW243.31 g/mol
LogP2.50
Rot. Bonds2

About (2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine

(2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine (PubChem CID 100919390) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
PubChem CID100919390
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
SMILESC[C@H]1[C@@H](c2ccccc2)O[C@@H](c2ncc[nH]2)N1C
InChIInChI=1S/C14H17N3O/c1-10-12(11-6-4-3-5-7-11)18-14(17(10)2)13-15-8-9-16-13/h3-10,12,14H,1-2H3,(H,15,16)/t10-,12-,14-/m0/s1
InChIKeyLLYIICXUMQCCLQ-JKOKRWQUSA-N
XLogP2.50
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R,4R,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 932898
(2S,4S,5S)-2-(2-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
CID 57282444
4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline
CID 74028862
4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine
CID 125027394
2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol
CID 102331412
4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 26415005
2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 102275565
(2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine
CID 11349970
2-(1H-imidazol-2-yl)-1,3-dimethyl-2H-imidazole
CID 69293618
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline
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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine?
The IUPAC name of (2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine (CID 100919390) is (2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for (2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine?
The canonical SMILES for (2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine is C[C@H]1[C@@H](c2ccccc2)O[C@@H](c2ncc[nH]2)N1C.
What is the InChIKey of (2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine?
The InChIKey is LLYIICXUMQCCLQ-JKOKRWQUSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-12(11-6-4-3-5-7-11)18-14(17(10)2)13-15-8-9-16-13/h3-10,12,14H,1-2H3,(H,15,16)/t10-,12-,14-/m0/s1.
What are the key properties of (2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine?
(2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine has a molecular weight of 243.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 100919390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).