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

C14H19NO — CID 135139404

IUPAC(4S)-2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccccc1[C@H]1COC(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/t12-/m1/s1
InChIKeyRZDNVPYGMUEXMV-GFCCVEGCSA-N
MW217.31 g/mol
LogP3.51
Rot. Bonds1

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

(4S)-2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 135139404) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (4S)-2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID135139404
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(4S)-2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccccc1[C@H]1COC(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/t12-/m1/s1
InChIKeyRZDNVPYGMUEXMV-GFCCVEGCSA-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

Analyze (4S)-2-tert-butyl-4-(2-methylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of (4S)-2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole (CID 135139404) is (4S)-2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole is Cc1ccccc1[C@H]1COC(C(C)(C)C)=N1.
What is the InChIKey of (4S)-2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is RZDNVPYGMUEXMV-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of (4S)-2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole?
(4S)-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 (4S)-2-tert-butyl-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135139404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).