2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole

C14H19NO — CID 135139388

IUPAC2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccccc1C1COC(C(C)(C)C)=N1
InChIInChI=1S/C14H19NO/c1-10-7-5-6-8-11(10)12-9-16-13(15-12)14(2,3)4/h5-8,12H,9H2,1-4H3
InChIKeyRZDNVPYGMUEXMV-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.51
Rot. Bonds1

About 2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole

2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 135139388) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID135139388
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccccc1C1COC(C(C)(C)C)=N1
InChIInChI=1S/C14H19NO/c1-10-7-5-6-8-11(10)12-9-16-13(15-12)14(2,3)4/h5-8,12H,9H2,1-4H3
InChIKeyRZDNVPYGMUEXMV-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323758
(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
AG-H-02521
CID 5325154
(4R)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323725
4-(2-Methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323891
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
4-Phenyl-2-(o-tolyl)-4,5-dihydrooxazole
CID 14853170
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine
CID 11229989

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole (CID 135139388) is 2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole is Cc1ccccc1C1COC(C(C)(C)C)=N1.
What is the InChIKey of 2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is RZDNVPYGMUEXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-7-5-6-8-11(10)12-9-16-13(15-12)14(2,3)4/h5-8,12H,9H2,1-4H3.
What are the key properties of 2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole?
2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 217.31 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135139388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).