(4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole

C14H19NO — CID 101417791

IUPAC(4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1N=C(C(C)(C)C)O[C@@H]1c1ccccc1
InChIInChI=1S/C14H19NO/c1-10-12(11-8-6-5-7-9-11)16-13(15-10)14(2,3)4/h5-10,12H,1-4H3/t10-,12-/m0/s1
InChIKeyLQGYFQSKTLBMSH-JQWIXIFHSA-N
MW217.31 g/mol
LogP3.59
Rot. Bonds1

About (4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole

(4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 101417791) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID101417791
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1N=C(C(C)(C)C)O[C@@H]1c1ccccc1
InChIInChI=1S/C14H19NO/c1-10-12(11-8-6-5-7-9-11)16-13(15-10)14(2,3)4/h5-10,12H,1-4H3/t10-,12-/m0/s1
InChIKeyLQGYFQSKTLBMSH-JQWIXIFHSA-N
XLogP3.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phendimetrazine
CID 30487
4,5-Dihydro-4-methyl-5-phenyl-2-oxazolamine
CID 92196
Bontril
CID 12460
(4S,5R)-4-Methylaminorex
CID 3058692
4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-2-oxazoline
CID 244030
3,4-Dimethyl-5-phenyl-1,3-oxazolidine
CID 434666
4-Methylaminorex, (4S,5S)-
CID 214156
Phendimetrazine hydrochloride
CID 6437591
2-Methoxy-N,N-dimethyl-2-phenylethan-1-amine
CID 23180
3,4-Dimethyl-2-phenylmorpholine--hydrogen chloride (1/1)
CID 111021
2-Methoxy-2-phenylethan-1-amine
CID 409782

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole (CID 101417791) is (4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole is C[C@@H]1N=C(C(C)(C)C)O[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is LQGYFQSKTLBMSH-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-12(11-8-6-5-7-9-11)16-13(15-10)14(2,3)4/h5-10,12H,1-4H3/t10-,12-/m0/s1.
What are the key properties of (4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
(4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 217.31 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101417791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).