2-tert-butyl-5-phenyl-4,5-dihydro-1,3-oxazole

C13H17NO — CID 10488378

IUPAC2-tert-butyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1=NCC(c2ccccc2)O1
InChIInChI=1S/C13H17NO/c1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyBBJPQODIVQDBEX-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.20
Rot. Bonds1

About 2-tert-butyl-5-phenyl-4,5-dihydro-1,3-oxazole

2-tert-butyl-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 10488378) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-tert-butyl-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID10488378
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-tert-butyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1=NCC(c2ccccc2)O1
InChIInChI=1S/C13H17NO/c1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyBBJPQODIVQDBEX-UHFFFAOYSA-N
XLogP3.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-5-phenyl-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Aminorex
CID 16630
4,5-Dihydro-4-methyl-5-phenyl-2-oxazolamine
CID 92196
(4S,5R)-4-Methylaminorex
CID 3058692
4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-2-oxazoline
CID 244030
4-Methylaminorex, (4S,5S)-
CID 214156
2-Phenyl-4-propyl-tetrahydro-1,4-oxazine
CID 6430941
Piperidine, 1-(beta-ethoxyphenethyl)-
CID 99794
Phenethylamine, beta-methoxy-, hydrochloride
CID 3046412
2-Methoxy-N,N-dimethyl-2-phenylethan-1-amine
CID 23180
2-Methoxy-2-phenylethan-1-amine
CID 409782
Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
CID 671208

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-phenyl-4,5-dihydro-1,3-oxazole (CID 10488378) is 2-tert-butyl-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-phenyl-4,5-dihydro-1,3-oxazole is CC(C)(C)C1=NCC(c2ccccc2)O1.
What is the InChIKey of 2-tert-butyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is BBJPQODIVQDBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3.
What are the key properties of 2-tert-butyl-5-phenyl-4,5-dihydro-1,3-oxazole?
2-tert-butyl-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 203.28 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10488378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).